Context Navigation

nasa_ames_ano.kv@ 536b13

Visit:

Action_Thermostats Add_AtomRandomPerturbation Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChangeBugEmailaddress ChemicalSpaceEvaluator Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_oldresults ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps

Last change on this file since 536b13 was 860145, checked in by Frederik Heber <heber@…>, 8 years ago
Merge commit '0b990dfaa8c6007a996d030163a25f7f5fc8a7e7' as 'ThirdParty/mpqc_open'
Property mode set to `100644`
File size: 53.3 KB

Line
1	%BASIS "NASA Ames ANO" SPHERICAL
2	basis:(
3	%J. ALMLOF AND P.R. TAYLOR, J. CHEM. PHYS. 86, 4070 (1987).
4	% C.W. BAUSCHLICHER, JR., S.R. LANGHOFF, A. KORMORNICKI, THEOR. CHIM ACTA 77,
5	% 263 (1990)
6	%
7	%
8	% BASIS SET: (8s,6p,4d,3f) -> [4s,3p,2d,1f]
9	hydrogen: "NASA Ames ANO": [
10	(type: [am = s am = s am = s am = s]
11	{exp coef:0 coef:1 coef:2 coef:3} = {
12	402.00990000 -0.24200000000E-03 -0.35600000000E-03 -0.41900000000E-03 0.34100000000E-03
13	60.241960000 -0.17760000000E-02 -0.12740000000E-02 -0.36150000000E-02 -0.19538000000E-01
14	13.732170000 -0.98970000000E-02 -0.18493000000E-01 -0.17507000000E-01 0.51377000000E-01
15	3.9045050000 -0.34765000000E-01 -0.17519000000E-01 -0.16368400000 -1.3200520000
16	1.2827090000 -0.12137600000 -0.45743100000 -1.1775920000 1.7404130000
17	0.46554400000 -0.22077700000 -0.32228000000 1.8452390000 -0.66840200000
18	0.18112000000 -0.19018400000 0.57883800000 -0.71178400000 -0.49903500000
19	0.72791000000E-01 -0.50657000000E-01 0.11814800000 -0.17124900000 0.54297000000
20	})
21	(type: [am = p am = p am = p]
22	{exp coef:0 coef:1 coef:2} = {
23	9.8800000000 0.30850000000E-02 -0.17351000000E-01 0.37360000000E-02
24	3.9500000000 0.29690000000E-02 0.21253000000E-01 -0.27421800000
25	1.5800000000 0.83876000000E-01 -0.55281600000 -0.77441900000
26	0.63000000000 0.32513300000 -0.15289900000 1.3699310000
27	0.25000000000 0.18960300000 0.52484600000 -0.73568300000
28	0.10000000000 0.17708000000E-01 0.14111000000E-01 -0.22704000000E-01
29	})
30	(type: [(am = d puream = 1) (am = d puream = 1)]
31	{exp coef:0 coef:1} = {
32	4.0000000000 0.12650000000E-02 -0.33799000000E-01
33	1.6000000000 -0.15991500000 -0.65922900000
34	0.64000000000 -0.38220800000 0.21574500000
35	0.26000000000 -0.10048700000 0.32138400000
36	})
37	(type: [(am = f puream = 1)]
38	{exp coef:0} = {
39	2.5000000000 -0.40897000000E-01
40	1.0000000000 -0.26157900000
41	0.40000000000 -0.10400000000
42	})
43	]
44	%
45	% BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g]
46	boron: "NASA Ames ANO": [
47	(type: [am = s am = s am = s am = s am = s]
48	{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
49	46535.630000 0.38000000000E-04 0.70000000000E-05 -0.10000000000E-04 -0.16000000000E-04 -0.28000000000E-04
50	6970.7830000 0.29900000000E-03 0.58000000000E-04 -0.78000000000E-04 -0.85000000000E-04 -0.13300000000E-03
51	1586.4320000 0.15680000000E-02 0.30400000000E-03 -0.42500000000E-03 -0.73300000000E-03 -0.13340000000E-02
52	449.31040000 0.65620000000E-02 0.12650000000E-02 -0.16870000000E-02 -0.15000000000E-02 -0.21150000000E-02
53	146.56170000 0.23191000000E-01 0.45710000000E-02 -0.64940000000E-02 -0.12664000000E-01 -0.24103000000E-01
54	52.883870000 0.69777000000E-01 0.13873000000E-01 -0.18372000000E-01 -0.11885000000E-01 -0.17269000000E-01
55	20.558250000 0.17161700000 0.36846000000E-01 -0.54677000000E-01 -0.13098100000 -0.28177300000
56	8.4346280000 0.31997400000 0.75570000000E-01 -0.98844000000E-01 -0.91100000000E-03 0.91928000000E-01
57	3.6075170000 0.37577700000 0.13118000000 -0.22162700000 -0.74356600000 -1.6619490000
58	1.5673140000 0.18254400000 0.10406600000 -0.10873300000 0.88054600000 3.7482510000
59	0.45938700000 0.78890000000E-02 -0.29487500000 1.3673000000 1.5945060000 -4.3671240000
60	0.18377700000 -0.93260000000E-02 -0.59519400000 -0.16053600000 -3.3625760000 3.7211240000
61	0.72352000000E-01 -0.23760000000E-02 -0.25246800000 -1.0104560000 1.9998600000 -1.4579420000
62	})
63	(type: [am = p am = p am = p am = p]
64	{exp coef:0 coef:1 coef:2 coef:3} = {
65	69.070830000 0.78800000000E-03 -0.67800000000E-03 -0.21280000000E-02 0.42950000000E-02
66	16.316310000 0.60540000000E-02 -0.46420000000E-02 -0.21376000000E-01 0.45542000000E-01
67	5.1155360000 0.26815000000E-01 -0.19109000000E-01 -0.85740000000E-01 0.22715500000
68	1.8218350000 0.87676000000E-01 -0.23670000000E-01 -0.44249100000 1.2038240000
69	0.71345200000 0.22991500000 -0.44890100000 -0.79286000000 -1.7811720000
70	0.29212300000 0.39282500000 -0.55559400000 1.2734220000 0.55518100000
71	0.12114500000 0.35918700000 0.67567200000 0.68690000000E-01 0.83950400000
72	0.49631000000E-01 0.12670600000 0.48983200000 -0.64352000000 -0.86633200000
73	})
74	(type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
75	{exp coef:0 coef:1 coef:2} = {
76	4.9400000000 0.49470000000E-02 0.12420000000E-02 -0.33289000000E-01
77	1.9800000000 0.21163000000E-01 0.29549000000E-01 0.49718400000
78	0.79000000000 0.22843200000 -0.85244100000 0.70124500000
79	0.32000000000 0.55400200000 -0.56274000000E-01 -1.5635310000
80	0.13000000000 0.33584900000 0.79235400000 0.93848300000
81	0.50000000000E-01 0.31559000000E-01 0.52314000000E-01 0.13431600000
82	})
83	(type: [(am = f puream = 1) (am = f puream = 1)]
84	{exp coef:0 coef:1} = {
85	2.3700000000 -0.63300000000E-03 0.23422000000E-01
86	0.95000000000 0.26852200000 -0.97601100000
87	0.38000000000 0.65698800000 0.30281200000
88	0.15000000000 0.23617400000 0.58595300000
89	})
90	(type: [(am = g puream = 1)]
91	{exp coef:0} = {
92	1.1400000000 0.22612000000E-01
93	0.46000000000 0.61839000000E-01
94	})
95	]
96	%
97	% BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g]
98	carbon: "NASA Ames ANO": [
99	(type: [am = s am = s am = s am = s am = s]
100	{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
101	50557.500000 -0.55000000000E-04 0.12000000000E-04 0.15000000000E-04 -0.21000000000E-04 0.27000000000E-04
102	7524.7860000 -0.43400000000E-03 0.93000000000E-04 0.11300000000E-03 -0.15000000000E-03 0.24300000000E-03
103	1694.3280000 -0.23160000000E-02 0.49900000000E-03 0.61900000000E-03 -0.92700000000E-03 0.10600000000E-02
104	472.82280000 -0.98720000000E-02 0.21300000000E-02 0.25730000000E-02 -0.32930000000E-02 0.60840000000E-02
105	151.71080000 -0.35217000000E-01 0.77300000000E-02 0.97100000000E-02 -0.15280000000E-01 0.15497000000E-01
106	53.918750000 -0.10418400000 0.23564000000E-01 0.28622000000E-01 -0.36183000000E-01 0.84167000000E-01
107	20.659310000 -0.24125500000 0.59522000000E-01 0.78407000000E-01 -0.14152900000 0.12958300000
108	8.3839760000 -0.38392900000 0.11433600000 0.14086800000 -0.15833700000 0.53521500000
109	3.5770150000 -0.30821900000 0.15228100000 0.25720400000 -0.61987800000 0.14046600000
110	1.5471180000 -0.68528000000E-01 0.15144000000E-01 -0.14594500000 1.6292380000 -3.3835810000
111	0.61301300000 -0.83000000000E-03 -0.37717100000 -1.2807690000 0.36862100000 5.4782250000
112	0.24606800000 -0.78200000000E-03 -0.54469600000 0.30509600000 -2.6581790000 -4.6005230000
113	0.99087000000E-01 0.40000000000E-04 -0.21188600000 0.93955700000 1.8389120000 1.8602740000
114	})
115	(type: [am = p am = p am = p am = p]
116	{exp coef:0 coef:1 coef:2 coef:3} = {
117	83.333160000 0.12590000000E-02 -0.14280000000E-02 -0.33970000000E-02 -0.82530000000E-02
118	19.557610000 0.96840000000E-02 -0.12110000000E-01 -0.34897000000E-01 -0.46337000000E-01
119	6.0803650000 0.42925000000E-01 -0.43938000000E-01 -0.14580100000 -0.45331800000
120	2.1793170000 0.13507500000 -0.17155500000 -0.71410500000 -0.84580600000
121	0.86515000000 0.28777400000 -0.60719500000 -0.14471900000 2.2349810000
122	0.36194400000 0.38193100000 -0.11243600000 1.3380700000 -1.7564070000
123	0.15474000000 0.29570000000 0.70597500000 -0.51561300000 0.10448100000
124	0.65429000000E-01 0.89427000000E-01 0.29463300000 -0.42474900000 0.58952100000
125	})
126	(type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
127	{exp coef:0 coef:1 coef:2} = {
128	7.1200000000 0.60430000000E-02 -0.22570000000E-02 0.42283000000E-01
129	2.8500000000 0.32352000000E-01 -0.81426000000E-01 -0.65112900000
130	1.1400000000 0.26805600000 -0.88160000000 -0.35679300000
131	0.46000000000 0.56291500000 0.18986600000 1.3926760000
132	0.18000000000 0.29475700000 0.67739500000 -1.0421080000
133	0.70000000000E-01 0.18572000000E-01 0.16009000000E-01 -0.47233000000E-01
134	})
135	(type: [(am = f puream = 1) (am = f puream = 1)]
136	{exp coef:0 coef:1} = {
137	3.4200000000 -0.86750000000E-02 0.57745000000E-01
138	1.3700000000 -0.31771300000 0.97136300000
139	0.55000000000 -0.64819200000 -0.45592400000
140	0.22000000000 -0.18722500000 -0.49493700000
141	})
142	(type: [(am = g puream = 1)]
143	{exp coef:0} = {
144	1.6400000000 0.22077400000
145	0.66000000000 0.50204900000
146	})
147	]
148	%
149	% BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g]
150	nitrogen: "NASA Ames ANO": [
151	(type: [am = s am = s am = s am = s am = s]
152	{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
153	74761.720000 -0.50000000000E-04 -0.11000000000E-04 -0.13000000000E-04 -0.19000000000E-04 -0.26000000000E-04
154	11123.650000 -0.39400000000E-03 -0.87000000000E-04 -0.10000000000E-03 -0.13800000000E-03 -0.21700000000E-03
155	2512.6060000 -0.20880000000E-02 -0.46300000000E-03 -0.54200000000E-03 -0.84900000000E-03 -0.10290000000E-02
156	703.77730000 -0.89060000000E-02 -0.19780000000E-02 -0.22610000000E-02 -0.29900000000E-02 -0.52720000000E-02
157	225.47880000 -0.32081000000E-01 -0.72440000000E-02 -0.85640000000E-02 -0.14082000000E-01 -0.15631000000E-01
158	79.615810000 -0.97424000000E-01 -0.22646000000E-01 -0.26012000000E-01 -0.33710000000E-01 -0.71675000000E-01
159	30.237280000 -0.23172900000 -0.58698000000E-01 -0.72207000000E-01 -0.13540300000 -0.14517300000
160	12.263620000 -0.37753900000 -0.11457500000 -0.13380200000 -0.15848300000 -0.48280000000
161	5.2650860000 -0.31862300000 -0.15447200000 -0.23941500000 -0.62053400000 -0.42928300000
162	2.3334710000 -0.82577000000E-01 -0.23766000000E-01 0.77478000000E-01 1.3741870000 3.6558940000
163	0.90185600000 -0.31020000000E-02 0.36533400000 1.1802320000 0.84572500000 -5.3943790000
164	0.35833600000 -0.53700000000E-03 0.53915000000 -0.50772000000E-01 -2.8973320000 4.3124510000
165	0.14109300000 -0.84000000000E-04 0.23613100000 -1.0739830000 1.8265160000 -1.6751360000
166	})
167	(type: [am = p am = p am = p am = p]
168	{exp coef:0 coef:1 coef:2 coef:3} = {
169	126.66660000 -0.11590000000E-02 -0.15400000000E-02 0.29310000000E-02 -0.63820000000E-02
170	29.837390000 -0.90760000000E-02 -0.12756000000E-01 0.32059000000E-01 -0.44263000000E-01
171	9.3940380000 -0.41062000000E-01 -0.54403000000E-01 0.13014900000 -0.36049700000
172	3.4051040000 -0.13086400000 -0.19607800000 0.65773000000 -0.96607400000
173	1.3500000000 -0.28115600000 -0.57219500000 0.22998800000 2.1275980000
174	0.55769600000 -0.37948700000 -0.12109800000 -1.3505170000 -1.3666180000
175	0.23244900000 -0.30847500000 0.68009600000 0.46706600000 -0.25924500000
176	0.94264000000E-01 -0.10012300000 0.30247400000 0.47162700000 0.72517000000
177	})
178	(type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
179	{exp coef:0 coef:1 coef:2} = {
180	9.8800000000 -0.75870000000E-02 -0.70770000000E-02 0.40590000000E-01
181	3.9500000000 -0.39504000000E-01 -0.13755200000 -0.69786300000
182	1.5800000000 -0.29541600000 -0.83975800000 -0.23169800000
183	0.63000000000 -0.55719100000 0.23227900000 1.3280670000
184	0.25000000000 -0.26728200000 0.64547300000 -1.0562720000
185	0.10000000000 -0.22635000000E-01 0.26255000000E-01 -0.45379000000E-01
186	})
187	(type: [(am = f puream = 1) (am = f puream = 1)]
188	{exp coef:0 coef:1} = {
189	4.7400000000 -0.15633000000E-01 0.98551000000E-01
190	1.9000000000 -0.33143900000 0.94062500000
191	0.76000000000 -0.64192200000 -0.47768200000
192	0.30000000000 -0.17914900000 -0.47895200000
193	})
194	(type: [(am = g puream = 1)]
195	{exp coef:0} = {
196	2.2800000000 -0.10169000000
197	0.91000000000 -0.21828900000
198	})
199	]
200	%
201	% BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g]
202	oxygen: "NASA Ames ANO": [
203	(type: [am = s am = s am = s am = s am = s]
204	{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
205	105374.90000 -0.46000000000E-04 0.10000000000E-04 -0.13000000000E-04 -0.18000000000E-04 0.23000000000E-04
206	15679.240000 -0.36100000000E-03 0.82000000000E-04 -0.99000000000E-04 -0.12400000000E-03 0.20100000000E-03
207	3534.5450000 -0.19200000000E-02 0.43800000000E-03 -0.53800000000E-03 -0.81900000000E-03 0.89200000000E-03
208	987.36520000 -0.82060000000E-02 0.18750000000E-02 -0.22490000000E-02 -0.26510000000E-02 0.50000000000E-02
209	315.97880000 -0.29725000000E-01 0.69090000000E-02 -0.85730000000E-02 -0.13902000000E-01 0.13048000000E-01
210	111.65430000 -0.90452000000E-01 0.21587000000E-01 -0.26009000000E-01 -0.28890000000E-01 0.68218000000E-01
211	42.699450000 -0.21740200000 0.56473000000E-01 -0.72913000000E-01 -0.13714200000 0.11491800000
212	17.395600000 -0.36872000000 0.11324500000 -0.13988400000 -0.12832300000 0.51268900000
213	7.4383090000 -0.33727700000 0.16070000000 -0.26057800000 -0.71729400000 0.42328500000
214	3.2228620000 -0.96808000000E-01 0.33672000000E-01 0.72981000000E-01 1.5531810000 -3.6436580000
215	1.2538770000 -0.26690000000E-02 -0.36024400000 1.2852860000 0.57374800000 5.3817360000
216	0.49515500000 -0.11980000000E-02 -0.54706600000 -0.22464800000 -2.6840910000 -4.3016680000
217	0.19166500000 0.31000000000E-04 -0.23853200000 -0.96682000000 1.7723270000 1.6892850000
218	})
219	(type: [am = p am = p am = p am = p]
220	{exp coef:0 coef:1 coef:2 coef:3} = {
221	200.00000000 -0.89700000000E-03 -0.11700000000E-02 0.18200000000E-02 0.25650000000E-02
222	46.533370000 -0.74020000000E-02 -0.95360000000E-02 0.20119000000E-01 0.37524000000E-01
223	14.621810000 -0.35085000000E-01 -0.46191000000E-01 0.82495000000E-01 0.14745200000
224	5.3130660000 -0.11579300000 -0.15475500000 0.42203100000 0.97699900000
225	2.1025250000 -0.25886700000 -0.48773900000 0.58729200000 -0.98914800000
226	0.85022300000 -0.37216800000 -0.27396000000 -1.0804780000 -0.58555700000
227	0.33759700000 -0.33629500000 0.56642400000 -0.22909600000 1.6715550000
228	0.12889200000 -0.14007700000 0.46061900000 0.82329300000 -1.1422140000
229	})
230	(type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
231	{exp coef:0 coef:1 coef:2} = {
232	12.650000000 0.91190000000E-02 -0.69980000000E-02 0.18186000000E-01
233	5.0600000000 0.49617000000E-01 -0.17998000000 -0.70394700000
234	2.0200000000 0.33049500000 -0.79608900000 -0.16631000000
235	0.81000000000 0.55185700000 0.27949700000 1.2517420000
236	0.32000000000 0.23094800000 0.62414300000 -0.99826700000
237	0.13000000000 0.19148000000E-01 0.44391000000E-01 -0.94737000000E-01
238	})
239	(type: [(am = f puream = 1) (am = f puream = 1)]
240	{exp coef:0 coef:1} = {
241	6.0700000000 0.24630000000E-01 0.13417000000
242	2.4300000000 0.33057600000 0.84333300000
243	0.97000000000 0.60260000000 -0.31593300000
244	0.39000000000 0.23056800000 -0.58066600000
245	})
246	(type: [(am = g puream = 1)]
247	{exp coef:0} = {
248	3.1100000000 0.20688500000
249	1.2400000000 0.51425300000
250	})
251	]
252	%
253	% BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g]
254	fluorine: "NASA Ames ANO": [
255	(type: [am = s am = s am = s am = s am = s]
256	{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
257	103109.50000 -0.64000000000E-04 0.15000000000E-04 0.19000000000E-04 0.26000000000E-04 -0.29000000000E-04
258	15281.010000 -0.50300000000E-03 0.11700000000E-03 0.14500000000E-03 0.18000000000E-03 -0.29200000000E-03
259	3441.5390000 -0.26680000000E-02 0.62100000000E-03 0.78300000000E-03 0.11590000000E-02 -0.10440000000E-02
260	967.09480000 -0.11200000000E-01 0.26160000000E-02 0.32360000000E-02 0.37830000000E-02 -0.75170000000E-02
261	314.03530000 -0.39097000000E-01 0.93060000000E-02 0.11877000000E-01 0.18861000000E-01 -0.12561000000E-01
262	113.44230000 -0.11226300000 0.27721000000E-01 0.34513000000E-01 0.37668000000E-01 -0.10250600000
263	44.644730000 -0.24719900000 0.67355000000E-01 0.90200000000E-01 0.17122600000 -0.58826000000E-01
264	18.942870000 -0.36800400000 0.12246600000 0.15736700000 0.12490100000 -0.83565900000
265	8.5327430000 -0.29086300000 0.15129100000 0.27158400000 0.82897200000 0.38381600000
266	3.9194010000 -0.78165000000E-01 0.79700000000E-02 -0.17565000000 -2.0976590000 2.9238160000
267	1.5681570000 -0.35660000000E-02 -0.37155100000 -1.3303090000 0.18951600000 -5.1744710000
268	0.62329000000 -0.82800000000E-03 -0.54143100000 0.42956200000 2.1772700000 4.4094980000
269	0.24086100000 -0.99000000000E-04 -0.22418200000 0.84766700000 -1.6405690000 -1.8093660000
270	})
271	(type: [am = p am = p am = p am = p]
272	{exp coef:0 coef:1 coef:2 coef:3} = {
273	245.33030000 0.99100000000E-03 -0.13410000000E-02 0.19510000000E-02 -0.35290000000E-02
274	56.919010000 0.83130000000E-02 -0.11638000000E-01 0.23985000000E-01 -0.36530000000E-01
275	17.604570000 0.40851000000E-01 -0.56092000000E-01 0.94178000000E-01 -0.21464900000
276	6.2749950000 0.13569100000 -0.20863000000 0.54687700000 -1.0303070000
277	2.4470300000 0.28104800000 -0.53262900000 0.39519000000 1.5924550000
278	0.99506000000 0.36052900000 -0.13704600000 -1.2697250000 -0.32108700000
279	0.40397300000 0.31431000000 0.59899600000 0.17996600000 -1.0965660000
280	0.15481000000 0.13271700000 0.37547100000 0.64457700000 1.0024140000
281	})
282	(type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
283	{exp coef:0 coef:1 coef:2} = {
284	16.010000000 -0.10626000000E-01 -0.91840000000E-02 0.95370000000E-02
285	6.4000000000 -0.55418000000E-01 -0.21105600000 -0.74895300000
286	2.5600000000 -0.35409800000 -0.77665300000 -0.50937000000E-01
287	1.0200000000 -0.54532900000 0.32750200000 1.1930080000
288	0.41000000000 -0.20701900000 0.59585300000 -1.0266900000
289	0.16000000000 -0.20040000000E-01 0.47261000000E-01 -0.73271000000E-01
290	})
291	(type: [(am = f puream = 1) (am = f puream = 1)]
292	{exp coef:0 coef:1} = {
293	7.6800000000 0.27929000000E-01 0.17026700000
294	3.0700000000 0.35229600000 0.82259700000
295	1.2300000000 0.60197900000 -0.36536000000
296	0.49000000000 0.20475600000 -0.55648300000
297	})
298	(type: [(am = g puream = 1)]
299	{exp coef:0} = {
300	3.6900000000 0.24225000000
301	1.4800000000 0.48480000000
302	})
303	]
304	%
305	% BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g]
306	neon: "NASA Ames ANO": [
307	(type: [am = s am = s am = s am = s am = s]
308	{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
309	166165.10000 -0.47000000000E-04 0.11000000000E-04 0.14000000000E-04 0.20000000000E-04 0.20000000000E-04
310	23107.520000 -0.40100000000E-03 0.94000000000E-04 0.11800000000E-03 0.14500000000E-03 0.23300000000E-03
311	5060.1540000 -0.21930000000E-02 0.51800000000E-03 0.66400000000E-03 0.98600000000E-03 0.77300000000E-03
312	1384.6120000 -0.95880000000E-02 0.22660000000E-02 0.28190000000E-02 0.32570000000E-02 0.63680000000E-02
313	436.51260000 -0.35074000000E-01 0.84540000000E-02 0.10980000000E-01 0.17425000000E-01 0.10250000000E-01
314	153.47150000 -0.10465200000 0.26049000000E-01 0.32457000000E-01 0.34769000000E-01 0.92651000000E-01
315	59.389090000 -0.23771500000 0.65296000000E-01 0.89380000000E-01 0.16861800000 0.46375000000E-01
316	24.861970000 -0.36960300000 0.12233800000 0.15565000000 0.12107900000 0.80935400000
317	11.015700000 -0.30617600000 0.15817700000 0.29400900000 0.89268700000 -0.35181300000
318	4.9651750000 -0.84181000000E-01 0.68050000000E-02 -0.20560400000 -2.2664330000 -2.7602720000
319	1.9365030000 -0.37260000000E-02 -0.38402600000 -1.3584610000 0.50349900000 4.9964210000
320	0.76572800000 -0.90600000000E-03 -0.53645300000 0.53844400000 1.9000480000 -4.4339140000
321	0.29553800000 -0.97000000000E-04 -0.21530100000 0.77958700000 -1.5575610000 1.8817270000
322	})
323	(type: [am = p am = p am = p am = p]
324	{exp coef:0 coef:1 coef:2 coef:3} = {
325	234.94500000 0.15830000000E-02 0.22120000000E-02 0.34260000000E-02 0.77930000000E-02
326	55.077390000 0.12576000000E-01 0.18574000000E-01 0.36509000000E-01 0.40782000000E-01
327	17.389550000 0.56998000000E-01 0.81483000000E-01 0.14499300000 0.43918600000
328	6.3895370000 0.16817600000 0.29386000000 0.73906600000 0.77326300000
329	2.5420820000 0.30721800000 0.54076900000 -0.12185400000 -2.1396120000
330	1.0337640000 0.35932000000 -0.95210000000E-01 -1.2039080000 1.6738260000
331	0.41878800000 0.27778200000 -0.60727600000 0.63711900000 -0.78819000000E-01
332	0.16462700000 0.95940000000E-01 -0.24687100000 0.37050600000 -0.59694500000
333	})
334	(type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
335	{exp coef:0 coef:1 coef:2} = {
336	19.760000000 0.11914000000E-01 0.11580000000E-01 -0.39030000000E-02
337	7.9100000000 0.61798000000E-01 0.23459700000 0.78608500000
338	3.1600000000 0.37085200000 0.75975200000 -0.40908000000E-01
339	1.2600000000 0.53747300000 -0.36305200000 -1.1330200000
340	0.51000000000 0.19184200000 -0.57492400000 1.0283870000
341	0.20000000000 0.20017000000E-01 -0.49291000000E-01 0.62378000000E-01
342	})
343	(type: [(am = f puream = 1) (am = f puream = 1)]
344	{exp coef:0 coef:1} = {
345	9.4900000000 0.26660000000E-01 -0.20820600000
346	3.7900000000 0.38775800000 -0.79761700000
347	1.5200000000 0.60859300000 0.43645300000
348	0.61000000000 0.14900200000 0.52192500000
349	})
350	(type: [(am = g puream = 1)]
351	{exp coef:0} = {
352	4.5500000000 -0.25148000000
353	1.8200000000 -0.47740100000
354	})
355	]
356	%
357	% BASIS SET: (20s,13p,6d,4f,2g) -> [6s,5p,3d,2f,1g]
358	aluminum: "NASA Ames ANO": [
359	(type: [am = s am = s am = s am = s am = s am = s]
360	{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
361	446287.30000 -0.22000000000E-04 0.60000000000E-05 0.10000000000E-05 0.20000000000E-05 -0.30000000000E-05 0.40000000000E-05
362	192715.40000 -0.80000000000E-05 0.20000000000E-05 0. 0.10000000000E-05 0. 0.
363	83218.170000 -0.99000000000E-04 0.26000000000E-04 0.60000000000E-05 0.80000000000E-05 -0.15000000000E-04 0.22000000000E-04
364	35935.190000 -0.20200000000E-03 0.53000000000E-04 0.12000000000E-04 0.16000000000E-04 -0.11000000000E-04 0.23000000000E-04
365	15517.500000 -0.65500000000E-03 0.17100000000E-03 0.40000000000E-04 0.54000000000E-04 -0.10200000000E-03 0.14500000000E-03
366	6700.7540000 -0.17980000000E-02 0.46800000000E-03 0.10800000000E-03 0.14300000000E-03 -0.12800000000E-03 0.23400000000E-03
367	2893.5130000 -0.51340000000E-02 0.13420000000E-02 0.31300000000E-03 0.42400000000E-03 -0.75700000000E-03 0.10860000000E-02
368	1249.4740000 -0.14384000000E-01 0.37890000000E-02 0.87700000000E-03 0.11640000000E-02 -0.11800000000E-02 0.20650000000E-02
369	539.54680000 -0.39042000000E-01 0.10467000000E-01 0.24460000000E-02 0.33080000000E-02 -0.56330000000E-02 0.81480000000E-02
370	232.98660000 -0.10022800000 0.27947000000E-01 0.65020000000E-02 0.86610000000E-02 -0.93640000000E-02 0.16495000000E-01
371	100.60810000 -0.22214900000 0.67613000000E-01 0.15947000000E-01 0.21643000000E-01 -0.36785000000E-01 0.54418000000E-01
372	43.444480000 -0.37088400000 0.13805300000 0.32830000000E-01 0.43934000000E-01 -0.45064000000E-01 0.82752000000E-01
373	18.760160000 -0.31935900000 0.17863900000 0.44489000000E-01 0.62028000000E-01 -0.12955600000 0.19071900000
374	8.1009930000 -0.75862000000E-01 -0.28750000000E-02 -0.21180000000E-02 -0.79070000000E-02 0.12469500000 -0.22690800000
375	3.4981640000 -0.24550000000E-02 -0.41752100000 -0.11907500000 -0.17253100000 0.31752000000E-01 -0.31681000000
376	1.5105740000 -0.88600000000E-03 -0.55315400000 -0.24352700000 -0.39065800000 1.3512900000 -1.8304500000
377	0.65229500000 -0.39000000000E-04 -0.15529300000 -0.18415800000 -0.31681800000 -1.8128290000 6.1097180000
378	0.28167300000 0.18000000000E-04 0.28370000000E-02 0.29909100000 1.8109780000 -1.2513990000 -7.9328300000
379	0.12163200000 -0.11000000000E-04 -0.22720000000E-02 0.63751600000 -0.19642400000 3.6932350000 5.9405300000
380	0.52523000000E-01 0.50000000000E-05 0.47600000000E-03 0.28228000000 -1.0963580000 -2.2089260000 -2.2054020000
381	})
382	(type: [am = p am = p am = p am = p am = p]
383	{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
384	1086.6970000 -0.26500000000E-03 -0.50000000000E-04 -0.63000000000E-04 -0.35000000000E-04 -0.23000000000E-04
385	439.52740000 -0.78200000000E-03 -0.14900000000E-03 -0.17000000000E-03 -0.53200000000E-03 -0.12280000000E-02
386	177.77200000 -0.41300000000E-02 -0.77700000000E-03 -0.98200000000E-03 -0.55800000000E-03 -0.40400000000E-03
387	71.901960000 -0.17006000000E-01 -0.32370000000E-02 -0.38320000000E-02 -0.84590000000E-02 -0.18592000000E-01
388	29.081590000 -0.63666000000E-01 -0.12184000000E-01 -0.14997000000E-01 -0.14267000000E-01 -0.22672000000E-01
389	11.762390000 -0.18708000000 -0.36704000000E-01 -0.43493000000E-01 -0.88060000000E-01 -0.19610100000
390	4.7574350000 -0.36080600000 -0.71795000000E-01 -0.91430000000E-01 -0.83572000000E-01 -0.12868900000
391	1.9242000000 -0.40521800000 -0.87493000000E-01 -0.10740800000 -0.35654400000 -0.76144900000
392	0.77826500000 -0.17952300000 -0.30591000000E-01 -0.13706600000 0.34558100000 2.6403520000
393	0.31477800000 -0.90350000000E-02 0.22943400000 0.81786600000 1.4428600000 -2.7866990000
394	0.12731600000 -0.35340000000E-02 0.50167000000 0.38848300000 -2.2406190000 1.4688110000
395	0.51494000000E-01 0.13060000000E-02 0.36808400000 -0.94985700000 0.98372400000 0.26120000000E-02
396	0.20827000000E-01 -0.48800000000E-03 0.52482000000E-01 -0.14691300000 0.23980900000 -0.51080500000
397	})
398	(type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
399	{exp coef:0 coef:1 coef:2} = {
400	3.0700000000 0.12695000000E-01 0.28205000000E-01 0.81998000000E-01
401	1.2300000000 0.78300000000E-02 -0.13344300000 0.12205400000
402	0.49000000000 0.17393900000 0.73980300000 -1.5552120000
403	0.20000000000 0.59214500000 0.32958200000 1.9529650000
404	0.80000000000E-01 0.35237200000 -0.93902700000 -0.93219000000
405	0.30000000000E-01 0.17019000000E-01 -0.53449000000E-01 -0.18925700000
406	})
407	(type: [(am = f puream = 1) (am = f puream = 1)]
408	{exp coef:0 coef:1} = {
409	1.5800000000 0.21013000000E-01 -0.14964200000
410	0.63000000000 -0.14268600000 0.77827800000
411	0.25000000000 -0.68598800000 0.22763800000
412	0.10000000000 -0.31853400000 -0.86412700000
413	})
414	(type: [(am = g puream = 1)]
415	{exp coef:0} = {
416	1.0600000000 -0.84737000000E-01
417	0.42000000000 -0.23214000000
418	})
419	]
420	%
421	% BASIS SET: (18s,13p,6d,4f,2g) -> [6s,5p,3d,2f,1g]
422	phosphorus: "NASA Ames ANO": [
423	(type: [am = s am = s am = s am = s am = s am = s]
424	{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
425	1948462.0000 0.60000000000E-05 0.20000000000E-05 0. -0.10000000000E-05 -0.10000000000E-05 -0.10000000000E-05
426	291808.80000 0.46000000000E-04 0.12000000000E-04 0.30000000000E-05 -0.40000000000E-05 -0.50000000000E-05 -0.90000000000E-05
427	66414.490000 0.23900000000E-03 0.65000000000E-04 0.18000000000E-04 -0.23000000000E-04 -0.33000000000E-04 -0.63000000000E-04
428	18812.820000 0.10110000000E-02 0.27400000000E-03 0.76000000000E-04 -0.94000000000E-04 -0.10700000000E-03 -0.18900000000E-03
429	6137.6770000 0.36670000000E-02 0.10010000000E-02 0.27700000000E-03 -0.35300000000E-03 -0.54200000000E-03 -0.10430000000E-02
430	2215.7920000 0.11827000000E-01 0.32390000000E-02 0.89200000000E-03 -0.11090000000E-02 -0.11510000000E-02 -0.19740000000E-02
431	864.22400000 0.34203000000E-01 0.95550000000E-02 0.26480000000E-02 -0.33970000000E-02 -0.55720000000E-02 -0.10920000000E-01
432	358.39630000 0.87565000000E-01 0.25249000000E-01 0.69780000000E-02 -0.86340000000E-02 -0.78440000000E-02 -0.12978000000E-01
433	156.15840000 0.18940500000 0.59367000000E-01 0.16644000000E-01 -0.21642000000E-01 -0.39408000000E-01 -0.80204000000E-01
434	70.839400000 0.31550000000 0.11523800000 0.32456000000E-01 -0.39862000000E-01 -0.24415000000E-01 -0.34087000000E-01
435	33.203260000 0.33246200000 0.16962000000 0.49999000000E-01 -0.68305000000E-01 -0.16283400000 -0.36511300000
436	15.773060000 0.15893600000 0.98439000000E-01 0.28933000000E-01 -0.29620000000E-01 0.10576600000 0.33884200000
437	6.6411840000 0.17679000000E-01 -0.24416300000 -0.80043000000E-01 0.11050900000 -0.16206600000 -0.11314600000
438	3.0675010000 -0.62500000000E-03 -0.56456300000 -0.25494100000 0.38169000000 1.4916960000 2.9594160000
439	1.4162150000 0.72600000000E-03 -0.33472000000 -0.27555000000 0.40864700000 -1.1900970000 -5.5133780000
440	0.47081100000 -0.22400000000E-03 -0.23480000000E-01 0.32550400000 -1.8725740000 -2.2231430000 6.1801650000
441	0.21157900000 0.10600000000E-03 0.42390000000E-02 0.64616800000 0.36405900000 4.2408410000 -5.0965400000
442	0.88777000000E-01 -0.33000000000E-04 -0.11790000000E-02 0.24719400000 1.0430610000 -2.3273390000 1.8302610000
443	})
444	(type: [am = p am = p am = p am = p am = p]
445	{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
446	2956.2620000 0.11000000000E-03 0.26000000000E-04 -0.35000000000E-04 -0.54000000000E-04 0.57000000000E-04
447	700.28480000 0.96900000000E-03 0.23300000000E-03 -0.28900000000E-03 -0.51500000000E-03 0.12260000000E-02
448	227.31390000 0.53990000000E-02 0.13010000000E-02 -0.17140000000E-02 -0.26990000000E-02 0.29070000000E-02
449	86.561840000 0.22171000000E-01 0.53800000000E-02 -0.66670000000E-02 -0.12086000000E-01 0.29584000000E-01
450	36.333860000 0.70711000000E-01 0.17407000000E-01 -0.22979000000E-01 -0.36192000000E-01 0.39702000000E-01
451	16.293470000 0.17153500000 0.43301000000E-01 -0.53361000000E-01 -0.10255400000 0.28307600000
452	7.5789660000 0.30022500000 0.77458000000E-01 -0.10791500000 -0.17158700000 0.51994000000E-01
453	3.5788590000 0.36061700000 0.98345000000E-01 -0.10799800000 -0.21174100000 0.88756900000
454	1.6980420000 0.23564000000 0.60703000000E-01 -0.16715400000 -0.42557000000E-01 -2.5179650000
455	0.76335800000 0.48380000000E-01 -0.14189000000 0.52824800000 1.8194620000 1.6696120000
456	0.34211900000 0.72000000000E-04 -0.42221900000 0.79493300000 -1.6852000000 0.56800200000
457	0.14862000000 0.99300000000E-03 -0.44160500000 -0.71429300000 -0.22803100000 -1.7810500000
458	0.62345000000E-01 -0.18700000000E-03 -0.15329700000 -0.49072600000 0.84354400000 1.1614360000
459	})
460	(type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
461	{exp coef:0 coef:1 coef:2} = {
462	4.6000000000 -0.19876000000E-01 0.63540000000E-02 0.18522000000
463	1.8400000000 -0.17841000000E-01 0.95553000000E-01 -0.37442000000
464	0.74000000000 -0.32657100000 -1.0098100000 -0.87925500000
465	0.29000000000 -0.60841800000 0.26989900000 1.8945390000
466	0.12000000000 -0.17889500000 0.73561500000 -1.4375760000
467	0.47000000000E-01 -0.10694000000E-01 -0.27012000000E-01 0.11468800000
468	})
469	(type: [(am = f puream = 1) (am = f puream = 1)]
470	{exp coef:0 coef:1} = {
471	2.2100000000 0.22867000000E-01 -0.11528200000
472	0.88000000000 -0.31525600000 1.0917640000
473	0.35000000000 -0.69573600000 -0.49025900000
474	0.14000000000 -0.13644600000 -0.50432300000
475	})
476	(type: [(am = g puream = 1)]
477	{exp coef:0} = {
478	1.0600000000 -0.84737000000E-01
479	0.42000000000 -0.23214000000
480	})
481	]
482	%
483	% BASIS SET: (21s,16p,10d,6f) -> [7s,6p,4d,2f]
484	titanium: "NASA Ames ANO": [
485	(type: [am = s am = s am = s am = s am = s am = s]
486	{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
487	5309148.1000 0.40000000000E-05 -0.10000000000E-05 0. 0. -0.11000000000E-04 -0.27000000000E-04
488	794951.65000 0.34000000000E-04 -0.10000000000E-04 0.40000000000E-05 -0.10000000000E-05 0.87000000000E-04 0.14300000000E-03
489	180907.56000 0.18000000000E-03 -0.53000000000E-04 0.18000000000E-04 -0.50000000000E-05 -0.55000000000E-04 -0.46700000000E-03
490	51241.933000 0.75900000000E-03 -0.22400000000E-03 0.78000000000E-04 -0.20000000000E-04 -0.15000000000E-04 0.18390000000E-02
491	16717.449000 0.27570000000E-02 -0.81800000000E-03 0.28400000000E-03 -0.72000000000E-04 -0.13800000000E-03 -0.15630000000E-02
492	6035.2659000 0.89250000000E-02 -0.26590000000E-02 0.92300000000E-03 -0.23300000000E-03 -0.38900000000E-03 0.44000000000E-04
493	2353.8571000 0.26062000000E-01 -0.78790000000E-02 0.27420000000E-02 -0.69400000000E-03 -0.12610000000E-02 -0.22500000000E-02
494	976.14646000 0.68190000000E-01 -0.21222000000E-01 0.74000000000E-02 -0.18700000000E-02 -0.31060000000E-02 -0.46630000000E-02
495	425.43563000 0.15434900000 -0.51422000000E-01 0.18119000000E-01 -0.45860000000E-02 -0.85010000000E-02 -0.13189000000E-01
496	193.04677000 0.28028100000 -0.10670100000 0.38103000000E-01 -0.96410000000E-02 -0.15420000000E-01 -0.23380000000E-01
497	90.439369000 0.34839800000 -0.17468200000 0.64879000000E-01 -0.16477000000E-01 -0.32454000000E-01 -0.51757000000E-01
498	43.020713000 0.22170600000 -0.15604000000 0.60671000000E-01 -0.15436000000E-01 -0.18895000000E-01 -0.25104000000E-01
499	19.190555000 0.40021000000E-01 0.12930300000 -0.55249000000E-01 0.14060000000E-01 0.35420000000E-02 -0.79240000000E-02
500	9.4257164000 -0.21380000000E-02 0.53846200000 -0.31260300000 0.83681000000E-01 0.20033100000 0.36059400000
501	4.6052434000 0.17210000000E-02 0.43572600000 -0.40165600000 0.11248200000 0.11920400000 0.16409100000
502	2.0378343000 -0.80200000000E-03 0.68121000000E-01 0.17168700000 -0.58959000000E-01 0.57966000000E-01 0.23936000000E-01
503	0.98003180000 0.35700000000E-03 -0.24430000000E-02 0.68949300000 -0.25197700000 -1.0238220000 -2.3564030000
504	0.44562540000 -0.14600000000E-03 0.19660000000E-02 0.39421500000 -0.28092400000 0.27351900000 2.6846180000
505	0.10641700000 0.55000000000E-04 -0.44000000000E-03 0.25701000000E-01 0.34555400000 2.0478550000 -0.33120000000E-01
506	0.52570500000E-01 -0.48000000000E-04 0.39200000000E-03 -0.98290000000E-02 0.61913000000 -1.1914050000 -2.3662390000
507	})
508	(type: [am = s]
509	{exp coef:0} = {
510	0.24356800000E-01 1.0000000000
511	})
512	(type: [am = p am = p am = p am = p am = p]
513	{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
514	7999.8045000 0.88000000000E-04 -0.29000000000E-04 0.90000000000E-05 -0.27100000000E-03 -0.92700000000E-03
515	1894.4515000 0.77700000000E-03 -0.26000000000E-03 0.80000000000E-04 0.24100000000E-03 0.41830000000E-02
516	615.18748000 0.44040000000E-02 -0.14730000000E-02 0.46300000000E-03 0.94100000000E-03 -0.14198000000E-01
517	234.92741000 0.18664000000E-01 -0.63160000000E-02 0.19570000000E-02 0.36340000000E-02 0.15430000000E-01
518	99.213753000 0.62070000000E-01 -0.21338000000E-01 0.67220000000E-02 0.13130000000E-01 0.58240000000E-02
519	44.916140000 0.15907700000 -0.56771000000E-01 0.17642000000E-01 0.34302000000E-01 0.46823000000E-01
520	21.249717000 0.29696400000 -0.10979400000 0.34953000000E-01 0.66544000000E-01 0.48629000000E-01
521	10.330458000 0.36881300000 -0.14716700000 0.45819000000E-01 0.97163000000E-01 0.16615100000
522	5.1049799000 0.23482900000 -0.55063000000E-01 0.18077000000E-01 0.27816000000E-01 -0.44102000000E-01
523	2.4406904000 0.49347000000E-01 0.24495800000 -0.95217000000E-01 -0.18187800000 -0.19606300000
524	1.1512050000 0.98700000000E-03 0.47224500000 -0.17326800000 -0.59225400000 -1.0183170000
525	0.52955560000 0.80400000000E-03 0.36051200000 -0.18842200000 0.12635000000 1.7213560000
526	0.22119000000 -0.22000000000E-03 0.81128000000E-01 0.24079200000 1.2972330000 -0.28412400000
527	0.88000000000E-01 0.10200000000E-03 -0.15090000000E-02 0.71343500000 -0.55877200000 -1.3692490000
528	0.35000000000E-01 -0.52000000000E-04 0.21630000000E-02 0.20695000000 -0.52350500000 1.3006420000
529	})
530	(type: [am = p]
531	{exp coef:0} = {
532	0.14000000000E-01 1.0000000000
533	})
534	(type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
535	{exp coef:0 coef:1 coef:2} = {
536	89.569201000 0.18510000000E-02 -0.16830000000E-02 0.25370000000E-02
537	26.584356000 0.13854000000E-01 -0.12689000000E-01 0.18217000000E-01
538	9.7710323000 0.54772000000E-01 -0.50375000000E-01 0.75384000000E-01
539	3.9619329000 0.14875300000 -0.13902900000 0.20777100000
540	1.6892689000 0.26607800000 -0.23553300000 0.30216400000
541	0.71567060000 0.32610100000 -0.24368700000 0.90361000000E-01
542	0.29381060000 0.31270200000 0.29629000000E-01 -0.59527000000
543	0.11083050000 0.22315900000 0.44675900000 -0.36238700000
544	0.44000000000E-01 0.88219000000E-01 0.43363800000 0.61029700000
545	})
546	(type: [(am = d puream = 1)]
547	{exp coef:0} = {
548	0.18000000000E-01 1.0000000000
549	})
550	(type: [(am = f puream = 1) (am = f puream = 1)]
551	{exp coef:0 coef:1} = {
552	5.4350000000 0.22889000000E-01 -0.68354000000E-01
553	2.1740000000 0.91344000000E-01 -0.27251600000
554	0.87000000000 0.27210400000 -0.52888000000
555	0.34800000000 0.47156400000 -0.62389000000E-01
556	0.13900000000 0.36914300000 0.54159900000
557	0.56000000000E-01 0.10581900000 0.26537500000
558	})
559	]
560	%
561	% BASIS SET: (20s,15p,10d,6f,4g) -> [7s,6p,4d,3f,2g]
562	iron: "NASA Ames ANO": [
563	(type: [am = s am = s am = s am = s am = s am = s]
564	{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
565	4316265.3000 0.90000000000E-05 0.30000000000E-05 0.10000000000E-05 0. 0. -0.10000000000E-05
566	646342.42000 0.67000000000E-04 0.20000000000E-04 0.80000000000E-05 -0.20000000000E-05 -0.40000000000E-05 -0.60000000000E-05
567	147089.73000 0.35400000000E-03 0.10800000000E-03 0.40000000000E-04 -0.90000000000E-05 -0.19000000000E-04 -0.32000000000E-04
568	41661.522000 0.14940000000E-02 0.45400000000E-03 0.16700000000E-03 -0.39000000000E-04 -0.82000000000E-04 -0.13800000000E-03
569	13590.765000 0.54110000000E-02 0.16500000000E-02 0.60800000000E-03 -0.14200000000E-03 -0.28100000000E-03 -0.48300000000E-03
570	4905.7500000 0.17353000000E-01 0.53420000000E-02 0.19740000000E-02 -0.46000000000E-03 -0.98100000000E-03 -0.16450000000E-02
571	1912.7458000 0.49540000000E-01 0.15619000000E-01 0.57800000000E-02 -0.13460000000E-02 -0.26260000000E-02 -0.45450000000E-02
572	792.60434000 0.12303500000 0.40889000000E-01 0.15252000000E-01 -0.35610000000E-02 -0.77430000000E-02 -0.12905000000E-01
573	344.80648000 0.24929300000 0.92911000000E-01 0.35056000000E-01 -0.81790000000E-02 -0.15494000000E-01 -0.27211000000E-01
574	155.89989000 0.35857200000 0.16894600000 0.65883000000E-01 -0.15484000000E-01 -0.35419000000E-01 -0.58435000000E-01
575	72.230908000 0.27747900000 0.19100100000 0.78156000000E-01 -0.18372000000E-01 -0.29221000000E-01 -0.55987000000E-01
576	32.725065000 0.67193000000E-01 -0.44002000000E-01 -0.18912000000E-01 0.42640000000E-02 -0.13399000000E-01 -0.97930000000E-02
577	15.667622000 -0.11560000000E-02 -0.51548300000 -0.30321600000 0.75628000000E-01 0.21198800000 0.35241100000
578	7.5034828000 0.19320000000E-02 -0.50517300000 -0.45764200000 0.11887300000 0.16914300000 0.45508800000
579	3.3122233000 -0.89200000000E-03 -0.92299000000E-01 0.12842100000 -0.41986000000E-01 0.74202000000E-01 -0.44621800000
580	1.5584712000 0.38600000000E-03 0.24090000000E-02 0.71739300000 -0.24751200000 -1.1776270000 -2.1706560000
581	0.68391370000 -0.15100000000E-03 -0.22620000000E-02 0.40355300000 -0.24921000000 0.47271400000 2.9960310000
582	0.14675670000 0.56000000000E-04 0.46800000000E-03 0.23145000000E-01 0.34050100000 1.9969190000 -1.5690770000
583	0.70583400000E-01 -0.44000000000E-04 -0.41800000000E-03 -0.55060000000E-02 0.56415100000 -1.4279300000 -0.19781300000
584	})
585	(type: [am = s]
586	{exp coef:0} = {
587	0.31448900000E-01 1.0000000000
588	})
589	(type: [am = p am = p am = p am = p am = p]
590	{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
591	7721.4886000 0.17700000000E-03 0.64000000000E-04 0.21000000000E-04 0.44000000000E-04 -0.56000000000E-04
592	1829.1258000 0.15510000000E-02 0.56000000000E-03 0.18500000000E-03 0.37800000000E-03 -0.51200000000E-03
593	593.62795000 0.86400000000E-02 0.31430000000E-02 0.10300000000E-02 0.21520000000E-02 -0.27830000000E-02
594	226.20536000 0.35486000000E-01 0.13061000000E-01 0.43160000000E-02 0.88440000000E-02 -0.12020000000E-01
595	95.261454000 0.11081900000 0.42113000000E-01 0.13851000000E-01 0.29019000000E-01 -0.37310000000E-01
596	42.859203000 0.25156900000 0.99493000000E-01 0.33173000000E-01 0.67781000000E-01 -0.93343000000E-01
597	20.049713000 0.38167800000 0.16132600000 0.53729000000E-01 0.11576200000 -0.14637800000
598	9.6208852000 0.30988400000 0.11461900000 0.39398000000E-01 0.88235000000E-01 -0.20230100000
599	4.5413705000 0.87806000000E-01 -0.18126600000 -0.77469000000E-01 -0.19468000000 0.60337800000
600	2.1135001000 0.37230000000E-02 -0.47535800000 -0.20036900000 -0.64732800000 0.92749700000
601	0.94720080000 0.15140000000E-02 -0.40814600000 -0.19156800000 0.14405900000 -2.1152770000
602	0.39124280000 -0.28500000000E-03 -0.10415400000 0.20775300000 1.2223770000 0.96412200000
603	0.15648000000 0.21200000000E-03 0.10940000000E-02 0.68683300000 -0.44549100000 0.77169100000
604	0.62592000000E-01 -0.95000000000E-04 -0.27330000000E-02 0.25894700000 -0.55779100000 -1.0407230000
605	})
606	(type: [am = p]
607	{exp coef:0} = {
608	0.25037000000E-01 1.0000000000
609	})
610	(type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
611	{exp coef:0 coef:1 coef:2 coef:3} = {
612	217.36883000 -0.91600000000E-03 -0.10010000000E-02 -0.14840000000E-02 -0.19790000000E-02
613	64.999755000 -0.78140000000E-02 -0.85460000000E-02 -0.12905000000E-01 -0.17507000000E-01
614	24.773137000 -0.35374000000E-01 -0.39091000000E-01 -0.59271000000E-01 -0.80747000000E-01
615	10.436140000 -0.10769900000 -0.12162600000 -0.19560800000 -0.29347600000
616	4.6796533000 -0.22522100000 -0.25567500000 -0.38106100000 -0.50129100000
617	2.1256225000 -0.31689900000 -0.28371400000 -0.12378300000 0.70400800000
618	0.94524210000 -0.32036400000 -0.22763000000E-01 0.63689900000 0.55890800000
619	0.40268530000 -0.24689900000 0.41836900000 0.33680100000 -1.1456490000
620	0.15665100000 -0.11607400000 0.47251400000 -0.60031800000 0.30974900000
621	0.62660000000E-01 -0.14853000000E-01 0.11398500000 -0.26385200000 0.46195300000
622	})
623	(type: [(am = f puream = 1) (am = f puream = 1) (am = f puream = 1)]
624	{exp coef:0 coef:1 coef:2} = {
625	16.997200000 0.13273000000E-01 0.27682000000E-01 -0.43420000000E-01
626	6.7989000000 0.79455000000E-01 0.18919300000 -0.40868800000
627	2.7196000000 0.29060300000 0.52249700000 -0.45547200000
628	1.0878000000 0.46604500000 0.15059900000 0.82529900000
629	0.43510000000 0.35516300000 -0.52695400000 0.43968000000E-01
630	0.17410000000 0.12591000000 -0.37350000000 -0.68458600000
631	})
632	(type: [(am = g puream = 1) (am = g puream = 1)]
633	{exp coef:0 coef:1} = {
634	8.1590000000 0.83660000000E-02 0.38731000000E-01
635	3.2630000000 0.58110000000E-01 0.12781800000
636	1.3050000000 0.10772000000 0.20599000000E-01
637	0.52200000000 0.83876000000E-01 -0.15293100000
638	})
639	]
640	%
641	% BASIS SET: (20s,15p,10d,6f) -> [7s,6p,4d,2f]
642	nickel: "NASA Ames ANO": [
643	(type: [am = s am = s am = s am = s am = s am = s]
644	{exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
645	5048010.4000 0.90000000000E-05 -0.30000000000E-05 0.10000000000E-05 0. 0.24000000000E-04 -0.33000000000E-04
646	755918.10000 0.67000000000E-04 -0.20000000000E-04 0.70000000000E-05 -0.20000000000E-05 -0.13000000000E-04 0.25700000000E-03
647	172026.25000 0.35100000000E-03 -0.10800000000E-03 0.38000000000E-04 -0.90000000000E-05 -0.12000000000E-04 -0.17400000000E-03
648	48724.572000 0.14800000000E-02 -0.45400000000E-03 0.16100000000E-03 -0.37000000000E-04 -0.74000000000E-04 -0.54000000000E-04
649	15894.892000 0.53610000000E-02 -0.16510000000E-02 0.58700000000E-03 -0.13400000000E-03 -0.23700000000E-03 -0.51100000000E-03
650	5737.4685000 0.17199000000E-01 -0.53460000000E-02 0.19040000000E-02 -0.43400000000E-03 -0.85300000000E-03 -0.14030000000E-02
651	2237.0513000 0.49128000000E-01 -0.15642000000E-01 0.55800000000E-02 -0.12710000000E-02 -0.22550000000E-02 -0.43650000000E-02
652	927.03020000 0.12216900000 -0.41001000000E-01 0.14753000000E-01 -0.33680000000E-02 -0.66460000000E-02 -0.11487000000E-01
653	403.34615000 0.24811200000 -0.93397000000E-01 0.34036000000E-01 -0.77540000000E-02 -0.13576000000E-01 -0.25446000000E-01
654	182.42816000 0.35826900000 -0.17041100000 0.64347000000E-01 -0.14750000000E-01 -0.30098000000E-01 -0.53304000000E-01
655	84.589171000 0.27910300000 -0.19375300000 0.77112000000E-01 -0.17611000000E-01 -0.26883000000E-01 -0.51732000000E-01
656	38.422931000 0.68284000000E-01 0.43614000000E-01 -0.18512000000E-01 0.39920000000E-02 -0.85890000000E-02 -0.11273000000E-01
657	18.468791000 -0.11830000000E-02 0.51949200000 -0.30442000000 0.73074000000E-01 0.17589100000 0.31983800000
658	8.8681903000 0.19140000000E-02 0.50372700000 -0.45125600000 0.11116700000 0.15967800000 0.39508500000
659	3.9188697000 -0.87900000000E-03 0.91295000000E-01 0.14849400000 -0.44051000000E-01 0.25037000000E-01 -0.25472700000
660	1.8398525000 0.37700000000E-03 -0.22250000000E-02 0.71338600000 -0.23242100000 -0.90786000000 -2.1265650000
661	0.80466260000 -0.14500000000E-03 0.22260000000E-02 0.39793600000 -0.22763800000 0.26558700000 2.5157580000
662	0.16984630000 0.51000000000E-04 -0.42900000000E-03 0.23123000000E-01 0.31142100000 1.6122490000 -0.21259900000
663	0.79369900000E-01 -0.40000000000E-04 0.36300000000E-03 -0.93000000000E-02 0.54689700000 -0.61124300000 -1.7291540000
664	})
665	(type: [am = s]
666	{exp coef:0} = {
667	0.34700200000E-01 1.0000000000
668	})
669	(type: [am = p am = p am = p am = p am = p]
670	{exp coef:0 coef:1 coef:2 coef:3 coef:4} = {
671	9148.7958000 0.17400000000E-03 -0.62000000000E-04 0.30000000000E-04 -0.66300000000E-03 0.12770000000E-02
672	2167.1706000 0.15270000000E-02 -0.54600000000E-03 0.20300000000E-03 0.79600000000E-03 -0.65500000000E-02
673	703.38566000 0.85220000000E-02 -0.30730000000E-02 0.13380000000E-02 0.17760000000E-02 0.63860000000E-02
674	268.13423000 0.35142000000E-01 -0.12827000000E-01 0.51270000000E-02 0.10821000000E-01 0.12148000000E-01
675	113.00781000 0.11027100000 -0.41614000000E-01 0.17388000000E-01 0.29062000000E-01 0.39683000000E-01
676	50.913395000 0.25173700000 -0.99134000000E-01 0.40915000000E-01 0.76994000000E-01 0.10718500000
677	23.877402000 0.38250200000 -0.16134000000 0.68018000000E-01 0.12273100000 0.14423000000
678	11.489237000 0.30888200000 -0.11079300000 0.47733000000E-01 0.10481000000 0.25900200000
679	5.4368839000 0.87167000000E-01 0.18946500000 -0.10384600000 -0.25975900000 -0.87239000000
680	2.5338366000 0.39480000000E-02 0.47535000000 -0.27162600000 -0.68969800000 -0.55781100000
681	1.1353088000 0.15980000000E-02 0.40149700000 -0.14975400000 0.36884200000 2.0283200000
682	0.46789110000 -0.22600000000E-03 0.10557200000 0.31790600000 1.0654880000 -1.2357980000
683	0.18720000000 0.21700000000E-03 -0.37800000000E-03 0.61633900000 -0.53448100000 -0.47656700000
684	0.74900000000E-01 -0.90000000000E-04 0.27960000000E-02 0.22764800000 -0.50112000000 0.89679400000
685	})
686	(type: [am = p]
687	{exp coef:0} = {
688	0.29900000000E-01 1.0000000000
689	})
690	(type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
691	{exp coef:0 coef:1 coef:2 coef:3} = {
692	258.86666000 0.94600000000E-03 -0.96000000000E-03 -0.13470000000E-02 0.20000000000E-02
693	77.496041000 0.81190000000E-02 -0.82760000000E-02 -0.11970000000E-01 0.16789000000E-01
694	29.589718000 0.37044000000E-01 -0.38053000000E-01 -0.55013000000E-01 0.77436000000E-01
695	12.515275000 0.11243600000 -0.11804400000 -0.17808900000 0.28253100000
696	5.6244675000 0.22963600000 -0.24187800000 -0.35378200000 0.47987500000
697	2.5513029000 0.31349000000 -0.25746800000 -0.15469500000 -0.55220800000
698	1.1280597000 0.30928100000 -0.35377000000E-01 0.50643500000 -0.64412800000
699	0.47537300000 0.24452900000 0.33063400000 0.44804400000 0.83202800000
700	0.18212780000 0.13214900000 0.46444500000 -0.36294300000 0.22473900000
701	0.72900000000E-01 0.33888000000E-01 0.24491200000 -0.47517700000 -0.68185000000
702	})
703	(type: [(am = f puream = 1) (am = f puream = 1)]
704	{exp coef:0 coef:1} = {
705	19.764200000 0.17112000000E-01 0.34643000000E-01
706	7.9057000000 0.98203000000E-01 0.25150000000
707	3.1622000000 0.33737900000 0.55664100000
708	1.2649000000 0.47579700000 -0.32855000000E-01
709	0.50600000000 0.30432400000 -0.54521000000
710	0.20240000000 0.95371000000E-01 -0.27656100000
711	})
712	]
713	)

Note: See TracBrowser for help on using the repository browser.

Download in other formats:

Original Format