Index: ThirdParty/mpqc_open/lib/basis/pc-2-aug.kv
===================================================================
--- ThirdParty/mpqc_open/lib/basis/pc-2-aug.kv	(revision 860145ede0311b3539e419277d8ca4a3091f40b2)
+++ ThirdParty/mpqc_open/lib/basis/pc-2-aug.kv	(revision 860145ede0311b3539e419277d8ca4a3091f40b2)
@@ -0,0 +1,733 @@
+basis: (
+ hydrogen: "pc-2-aug": [
+  (type: [am=s]
+   {exp coef:0} = {
+   0.75423e+02 0.24065e-02
+   0.11350e+02 0.18487e-01
+   0.25993e+01 0.89742e-01
+   0.73513e+00 0.28111e+00
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.23167e+00 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.74147e-01 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.16000e+01 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.45000e+00 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.12500e+01 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.22334e-01 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.67001e-01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.89334e-01 0.10000e+01
+  })
+ ]
+ carbon: "pc-2-aug": [
+  (type: [am=s]
+   {exp coef:0} = {
+   0.78571e+04 0.56822e-03
+   0.11787e+04 0.43912e-02
+   0.26832e+03 0.22503e-01
+   0.75948e+02 0.86643e-01
+   0.24559e+02 0.24406e+00
+   0.86212e+01 0.44133e+00
+   0.31278e+01 0.35342e+00
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.11787e+04 0.96183e-06
+   0.26832e+03 0.62126e-04
+   0.75948e+02 0.77125e-03
+   0.24559e+02 0.73217e-02
+   0.86212e+01 0.39106e-01
+   0.31278e+01 0.89222e-01
+   0.82202e+00 -0.21859e+00
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.33017e+00 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.11463e+00 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.33775e+02 0.59791e-02
+   0.76766e+01 0.43276e-01
+   0.22357e+01 0.16125e+00
+   0.76447e+00 0.36373e+00
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.26232e+00 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.84638e-01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.14000e+01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.45000e+00 0.10000e+01
+  })
+  (type: [(am=f puream=1)]
+   {exp coef:0} = {
+   0.95000e+00 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.37217e-01 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.26449e-01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.79348e-01 0.10000e+01
+  })
+  (type: [(am=f puream=1)]
+   {exp coef:0} = {
+   0.10580e+00 0.10000e+01
+  })
+ ]
+ nitrogen: "pc-2-aug": [
+  (type: [am=s]
+   {exp coef:0} = {
+   0.11101e+05 0.54570e-03
+   0.16653e+04 0.42181e-02
+   0.37908e+03 0.21645e-01
+   0.10730e+03 0.83776e-01
+   0.34747e+02 0.23881e+00
+   0.12249e+02 0.43994e+00
+   0.44743e+01 0.36364e+00
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.16653e+04 0.15006e-05
+   0.37908e+03 0.58753e-04
+   0.10730e+03 0.77453e-03
+   0.34747e+02 0.72161e-02
+   0.12249e+02 0.39338e-01
+   0.44743e+01 0.90611e-01
+   0.12404e+01 -0.19882e+00
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.48743e+00 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.16484e+00 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.47934e+02 0.61706e-02
+   0.10999e+02 0.44260e-01
+   0.32472e+01 0.16825e+00
+   0.11114e+01 0.36848e+00
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.37988e+00 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.12068e+00 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.18000e+01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.55000e+00 0.10000e+01
+  })
+  (type: [(am=f puream=1)]
+   {exp coef:0} = {
+   0.10200e+01 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.52165e-01 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.36023e-01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.10807e+00 0.10000e+01
+  })
+  (type: [(am=f puream=1)]
+   {exp coef:0} = {
+   0.14409e+00 0.10000e+01
+  })
+ ]
+ oxygen: "pc-2-aug": [
+  (type: [am=s]
+   {exp coef:0} = {
+   0.14782e+05 0.53516e-03
+   0.22173e+04 0.41373e-02
+   0.50474e+03 0.21244e-01
+   0.14287e+03 0.82447e-01
+   0.46300e+02 0.23670e+00
+   0.16337e+02 0.44028e+00
+   0.59828e+01 0.36473e+00
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.22173e+04 0.21421e-05
+   0.50474e+03 0.57894e-04
+   0.14287e+03 0.80314e-03
+   0.46300e+02 0.73144e-02
+   0.16337e+02 0.40696e-01
+   0.59828e+01 0.91877e-01
+   0.16718e+01 -0.21057e+00
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.64662e+00 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.21669e+00 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.60424e+02 0.68724e-02
+   0.13935e+02 0.49025e-01
+   0.41531e+01 0.18189e+00
+   0.14158e+01 0.37559e+00
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.47549e+00 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.14529e+00 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.22000e+01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.65000e+00 0.10000e+01
+  })
+  (type: [(am=f puream=1)]
+   {exp coef:0} = {
+   0.11000e+01 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.68141e-01 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.41871e-01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.12561e+00 0.10000e+01
+  })
+  (type: [(am=f puream=1)]
+   {exp coef:0} = {
+   0.16748e+00 0.10000e+01
+  })
+ ]
+ fluorine: "pc-2-aug": [
+  (type: [am=s]
+   {exp coef:0} = {
+   0.19127e+05 0.52247e-03
+   0.28689e+04 0.40398e-02
+   0.65304e+03 0.20758e-01
+   0.18485e+03 0.80796e-01
+   0.59949e+02 0.23360e+00
+   0.21190e+02 0.43957e+00
+   0.77846e+01 0.37047e+00
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.28689e+04 0.23704e-05
+   0.65304e+03 0.56239e-04
+   0.18485e+03 0.80276e-03
+   0.59949e+02 0.72679e-02
+   0.21190e+02 0.40910e-01
+   0.77846e+01 0.93109e-01
+   0.22305e+01 -0.20301e+00
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.85409e+00 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.28336e+00 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.77639e+02 0.70197e-02
+   0.17965e+02 0.50148e-01
+   0.54005e+01 0.18513e+00
+   0.18423e+01 0.37517e+00
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.61532e+00 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.18489e+00 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.28000e+01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.80000e+00 0.10000e+01
+  })
+  (type: [(am=f puream=1)]
+   {exp coef:0} = {
+   0.12000e+01 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.88276e-01 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.52376e-01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.15713e+00 0.10000e+01
+  })
+  (type: [(am=f puream=1)]
+   {exp coef:0} = {
+   0.20951e+00 0.10000e+01
+  })
+ ]
+ silicon: "pc-2-aug": [
+  (type: [am=s]
+   {exp coef:0} = {
+   0.12004e+06 0.16075e-03
+   0.17991e+05 0.12472e-02
+   0.40948e+04 0.65040e-02
+   0.11596e+04 0.26665e-01
+   0.37800e+03 0.88816e-01
+   0.13593e+03 0.22932e+00
+   0.52411e+02 0.40025e+00
+   0.20927e+02 0.33828e+00
+   0.77130e+01 0.65512e-01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.40948e+04 -0.21124e-05
+   0.11596e+04 -0.69157e-04
+   0.37800e+03 -0.48080e-03
+   0.13593e+03 -0.41694e-02
+   0.52411e+02 -0.17674e-01
+   0.20927e+02 -0.42891e-01
+   0.77130e+01 0.45368e-01
+   0.31604e+01 0.13904e+00
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.40948e+04 0.39897e-05
+   0.11596e+04 0.50203e-04
+   0.37800e+03 0.57553e-03
+   0.13593e+03 0.41524e-02
+   0.52411e+02 0.20437e-01
+   0.20927e+02 0.46998e-01
+   0.77130e+01 -0.43986e-01
+   0.31604e+01 -0.33957e+00
+   0.12348e+01 -0.35038e+00
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.26775e+00 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.94067e-01 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.67713e+03 0.10925e-02
+   0.16067e+03 0.89601e-02
+   0.51585e+02 0.44744e-01
+   0.18948e+02 0.14748e+00
+   0.76163e+01 0.31480e+00
+   0.31317e+01 0.41339e+00
+   0.12703e+01 0.26440e+00
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.16067e+03 0.79014e-05
+   0.51585e+02 -0.13613e-03
+   0.18948e+02 -0.90378e-03
+   0.76163e+01 -0.55863e-02
+   0.31317e+01 -0.10141e-01
+   0.12703e+01 0.18661e-01
+   0.43332e+00 0.28890e+00
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.16088e+00 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.54883e-01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.16800e+01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.38000e+00 0.10000e+01
+  })
+  (type: [(am=f puream=1)]
+   {exp coef:0} = {
+   0.54000e+00 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.30878e-01 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.17527e-01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.52580e-01 0.10000e+01
+  })
+  (type: [(am=f puream=1)]
+   {exp coef:0} = {
+   0.70107e-01 0.10000e+01
+  })
+ ]
+ phosphorus: "pc-2-aug": [
+  (type: [am=s]
+   {exp coef:0} = {
+   0.14568e+06 0.15016e-03
+   0.21836e+05 0.11650e-02
+   0.49699e+04 0.60798e-02
+   0.14073e+04 0.24968e-01
+   0.45878e+03 0.83637e-01
+   0.16508e+03 0.21863e+00
+   0.63744e+02 0.39234e+00
+   0.25598e+02 0.35038e+00
+   0.99307e+01 0.77287e-01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.14073e+04 -0.87601e-04
+   0.45878e+03 -0.52745e-03
+   0.16508e+03 -0.49575e-02
+   0.63744e+02 -0.20535e-01
+   0.25598e+02 -0.55030e-01
+   0.99307e+01 0.41583e-01
+   0.39686e+01 0.17029e+00
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.14073e+04 0.30955e-04
+   0.45878e+03 0.35776e-03
+   0.16508e+03 0.26123e-02
+   0.63744e+02 0.13204e-01
+   0.25598e+02 0.32848e-01
+   0.99307e+01 -0.18182e-01
+   0.39686e+01 -0.25722e+00
+   0.15565e+01 -0.30682e+00
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.35404e+00 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.12394e+00 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.82623e+03 0.10225e-02
+   0.19602e+03 0.84472e-02
+   0.62951e+02 0.42664e-01
+   0.23222e+02 0.14239e+00
+   0.93885e+01 0.31059e+00
+   0.38997e+01 0.41672e+00
+   0.16048e+01 0.26618e+00
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.19602e+03 0.41082e-05
+   0.62951e+02 -0.15057e-03
+   0.23222e+02 -0.11141e-02
+   0.93885e+01 -0.64942e-02
+   0.38997e+01 -0.12469e-01
+   0.16048e+01 0.23458e-01
+   0.56053e+00 0.32270e+00
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.21175e+00 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.73486e-01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.18900e+01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.43000e+00 0.10000e+01
+  })
+  (type: [(am=f puream=1)]
+   {exp coef:0} = {
+   0.60000e+00 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.40548e-01 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.23848e-01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.71543e-01 0.10000e+01
+  })
+  (type: [(am=f puream=1)]
+   {exp coef:0} = {
+   0.95390e-01 0.10000e+01
+  })
+ ]
+ sulfur: "pc-2-aug": [
+  (type: [am=s]
+   {exp coef:0} = {
+   0.17203e+06 0.14353e-03
+   0.25783e+05 0.11137e-02
+   0.58682e+04 0.58143e-02
+   0.16617e+04 0.23903e-01
+   0.54175e+03 0.80354e-01
+   0.19501e+03 0.21175e+00
+   0.75396e+02 0.38664e+00
+   0.30407e+02 0.35747e+00
+   0.12121e+02 0.86131e-01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.16617e+04 -0.90480e-04
+   0.54175e+03 -0.50105e-03
+   0.19501e+03 -0.49510e-02
+   0.75396e+02 -0.20252e-01
+   0.30407e+02 -0.57388e-01
+   0.12121e+02 0.34847e-01
+   0.47777e+01 0.16833e+00
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.16617e+04 0.28367e-04
+   0.54175e+03 0.32591e-03
+   0.19501e+03 0.24131e-02
+   0.75396e+02 0.12352e-01
+   0.30407e+02 0.32119e-01
+   0.12121e+02 -0.11611e-01
+   0.47777e+01 -0.25542e+00
+   0.18906e+01 -0.31384e+00
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.44686e+00 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.15621e+00 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.96812e+03 0.10048e-02
+   0.22970e+03 0.83313e-02
+   0.73833e+02 0.42260e-01
+   0.27312e+02 0.14206e+00
+   0.11074e+02 0.31256e+00
+   0.46307e+01 0.41933e+00
+   0.19299e+01 0.25924e+00
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.22970e+03 -0.80693e-05
+   0.73833e+02 -0.16943e-03
+   0.27312e+02 -0.15243e-02
+   0.11074e+02 -0.71993e-02
+   0.46307e+01 -0.16113e-01
+   0.19299e+01 0.34234e-01
+   0.68783e+00 0.35518e+00
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.25663e+00 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.87251e-01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.21000e+01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.48000e+00 0.10000e+01
+  })
+  (type: [(am=f puream=1)]
+   {exp coef:0} = {
+   0.66000e+00 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.51037e-01 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.27776e-01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.83327e-01 0.10000e+01
+  })
+  (type: [(am=f puream=1)]
+   {exp coef:0} = {
+   0.11110e+00 0.10000e+01
+  })
+ ]
+ chlorine: "pc-2-aug": [
+  (type: [am=s]
+   {exp coef:0} = {
+   0.20115e+06 0.13753e-03
+   0.30146e+05 0.10671e-02
+   0.68610e+04 0.55737e-02
+   0.19428e+04 0.22935e-01
+   0.63342e+03 0.77354e-01
+   0.22810e+03 0.20534e+00
+   0.88288e+02 0.38093e+00
+   0.35750e+02 0.36361e+00
+   0.14571e+02 0.95182e-01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.19428e+04 -0.94653e-04
+   0.63342e+03 -0.48337e-03
+   0.22810e+03 -0.50009e-02
+   0.88288e+02 -0.20230e-01
+   0.35750e+02 -0.60209e-01
+   0.14571e+02 0.29195e-01
+   0.56580e+01 0.16993e+00
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.19428e+04 0.24868e-04
+   0.63342e+03 0.28967e-03
+   0.22810e+03 0.21513e-02
+   0.88288e+02 0.11195e-01
+   0.35750e+02 0.30180e-01
+   0.14571e+02 -0.59456e-02
+   0.56580e+01 -0.24702e+00
+   0.22554e+01 -0.31412e+00
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.54947e+00 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.19126e+00 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.11299e+04 0.97621e-03
+   0.26806e+03 0.81260e-02
+   0.86222e+02 0.41433e-01
+   0.31979e+02 0.14035e+00
+   0.13008e+02 0.31207e+00
+   0.54766e+01 0.42099e+00
+   0.23090e+01 0.25664e+00
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.26806e+03 -0.11596e-04
+   0.86222e+02 -0.18289e-03
+   0.31979e+02 -0.17170e-02
+   0.13008e+02 -0.78974e-02
+   0.54766e+01 -0.18237e-01
+   0.23090e+01 0.40035e-01
+   0.84601e+00 0.36717e+00
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.31659e+00 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.10716e+00 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.23100e+01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.52000e+00 0.10000e+01
+  })
+  (type: [(am=f puream=1)]
+   {exp coef:0} = {
+   0.72000e+00 0.10000e+01
+  })
+  (type: [am=s]
+   {exp coef:0} = {
+   0.62241e-01 0.10000e+01
+  })
+  (type: [am=p]
+   {exp coef:0} = {
+   0.33970e-01 0.10000e+01
+  })
+  (type: [(am=d puream=1)]
+   {exp coef:0} = {
+   0.10191e+00 0.10000e+01
+  })
+  (type: [(am=f puream=1)]
+   {exp coef:0} = {
+   0.13588e+00 0.10000e+01
+  })
+ ]
+)
