Index: ThirdParty/mpqc_open/lib/basis/sto-2g.kv
===================================================================
--- ThirdParty/mpqc_open/lib/basis/sto-2g.kv	(revision 860145ede0311b3539e419277d8ca4a3091f40b2)
+++ ThirdParty/mpqc_open/lib/basis/sto-2g.kv	(revision 860145ede0311b3539e419277d8ca4a3091f40b2)
@@ -0,0 +1,340 @@
+%BASIS "STO-2G" CARTESIAN
+basis:(
+%Elements                             References
+%--------                             ----------
+% H - He: W.J. Hehre, R.F. Stewart and J.A. Pople, J. Chem. Phys. 2657 (1969).
+%Li - Ne:
+%Na - Ar: W.J. Hehre, R. Ditchfield, R.F. Stewart, J.A. Pople, J. Chem. Phys.
+% K - Kr: 52, 2769 (1970).
+%
+%
+% BASIS SET: (2S) -> [1S]
+ hydrogen: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+            1.309756377      0.43012850
+            0.233135974      0.67891353
+   })
+ ]
+%
+% BASIS SET: (2S) -> [1S]
+ helium: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+            2.432879000      0.43012800
+            0.433051000      0.67891400
+   })
+ ]
+%
+% BASIS SET: (4S,2P) -> [2S,1P]
+ lithium: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+            6.163845000      0.43012800
+            1.097161000      0.67891400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.245916000      0.04947200      0.51154100
+            0.062371000      0.96378200      0.61282000
+   })
+ ]
+%
+% BASIS SET: (4S,2P) -> [2S,1P]
+ beryllium: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+           11.535669000      0.43012800
+            2.053343000      0.67891400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.508163000      0.04947200      0.51154100
+            0.128884000      0.96378200      0.61282000
+   })
+ ]
+%
+% BASIS SET: (4S,2P) -> [2S,1P]
+ boron: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+           18.656873000      0.43012800
+            3.320914000      0.67891400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.864550000      0.04947200      0.51154100
+            0.219273000      0.96378200      0.61282000
+   })
+ ]
+%
+% BASIS SET: (4S,2P) -> [2S,1P]
+ carbon: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+           27.385033030      0.43012850
+            4.874522052      0.67891353
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            1.136748189      0.04947177      0.51154071
+            0.288309360      0.96378241      0.61281990
+   })
+ ]
+%
+% BASIS SET: (4S,2P) -> [2S,1P]
+ nitrogen: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+           37.896475000      0.43012800
+            6.745554000      0.67891400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            1.461089000      0.04947200      0.51154100
+            0.370571000      0.96378200      0.61282000
+   })
+ ]
+%
+% BASIS SET: (4S,2P) -> [2S,1P]
+ oxygen: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+           49.980971000      0.43012800
+            8.896588000      0.67891400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            1.945237000      0.04947200      0.51154100
+            0.493363000      0.96378200      0.61282000
+   })
+ ]
+%
+% BASIS SET: (4S,2P) -> [2S,1P]
+ fluorine: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+           63.735202000      0.43012800
+           11.344834000      0.67891400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            2.498548000      0.04947200      0.51154100
+            0.633698000      0.96378200      0.61282000
+   })
+ ]
+%
+% BASIS SET: (4S,2P) -> [2S,1P]
+ neon: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+           79.159168000      0.43012800
+           14.090292000      0.67891400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            3.187076000      0.04947200      0.51154100
+            0.808327000      0.96378200      0.61282000
+   })
+ ]
+%
+% BASIS SET: (6S,4P) -> [3S,2P]
+ sodium: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+           95.891016000      0.43012800
+           17.068552000      0.67891400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            4.653352000      0.04947200      0.51154100
+            1.180213000      0.96378200      0.61282000
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.284005000     -0.29839900      0.34804700
+            0.097439000      1.22798300      0.72225200
+   })
+ ]
+%
+% BASIS SET: (6S,4P) -> [3S,2P]
+ magnesium: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+          114.423183000      0.43012800
+           20.367269000      0.67891400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            5.844355000      0.04947200      0.51154100
+            1.482283000      0.96378200      0.61282000
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.317815000     -0.29839900      0.34804700
+            0.109039000      1.22798300      0.72225200
+   })
+ ]
+%
+% BASIS SET: (6S,4P) -> [3S,2P]
+ aluminum: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+          134.377461000      0.43012800
+           23.919120000      0.67891400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            7.304330000      0.04947200      0.51154100
+            1.852571000      0.96378200      0.61282000
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.374787000     -0.29839900      0.34804700
+            0.128586000      1.22798300      0.72225200
+   })
+ ]
+%
+% BASIS SET: (6S,4P) -> [3S,2P]
+ silicon: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+          155.934691000      0.43012800
+           27.756296000      0.67891400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            8.963996000      0.04947200      0.51154100
+            2.273506000      0.96378200      0.61282000
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.466035000     -0.29839900      0.34804700
+            0.159892000      1.22798300      0.72225200
+   })
+ ]
+%
+% BASIS SET: (6S,4P) -> [3S,2P]
+ phosphorus: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+          179.094874000      0.43012800
+           31.878797000      0.67891400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           10.834189000      0.04947200      0.51154100
+            2.747837000      0.96378200      0.61282000
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.587291000     -0.29839900      0.34804700
+            0.201494000      1.22798300      0.72225200
+   })
+ ]
+%
+% BASIS SET: (6S,4P) -> [3S,2P]
+ sulfur: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+          203.858009000      0.43012800
+           36.286623000      0.67891400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           12.881443000      0.04947200      0.51154100
+            3.267074000      0.96378200      0.61282000
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.722553000     -0.29839900      0.34804700
+            0.247901000      1.22798300      0.72225200
+   })
+ ]
+%
+% BASIS SET: (6S,4P) -> [3S,2P]
+ chlorine: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+          229.944104000      0.43012800
+           40.929935000      0.67891400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           15.057610000      0.04947200      0.51154100
+            3.819008000      0.96378200      0.61282000
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.888346000     -0.29839900      0.34804700
+            0.304783000      1.22798300      0.72225200
+   })
+ ]
+%
+% BASIS SET: (6S,4P) -> [3S,2P]
+ argon: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+          257.896619000      0.43012800
+           45.905468000      0.67891400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           17.455294000      0.04947200      0.51154100
+            4.427124000      0.96378200      0.61282000
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            1.053093000     -0.29839900      0.34804700
+            0.361306000      1.22798300      0.72225200
+   })
+ ]
+%
+% BASIS SET: (8S,6P) -> [4S,3P]
+ potassium: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+          295.012146500      0.43012850
+           52.512013370      0.67891353
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           20.252592390      0.04947177      0.51154071
+            5.136592224      0.96378241      0.61281990
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            1.466966455     -0.29839860      0.34804719
+            0.503301550      1.22798289      0.72225232
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.254048142     -0.66156030      0.13098905
+            0.102239820      1.51075413      0.89464313
+   })
+ ]
+%
+% BASIS SET: (8S,6P) -> [4S,3P]
+ calcium: "STO-2G": [
+  (type: [am = s]
+   {exp coef:0} = {
+          326.567172700      0.43012850
+           58.128792110      0.67891353
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           23.019151020      0.04947177      0.51154071
+            5.838264545      0.96378241      0.61281990
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            1.757469459     -0.29839860      0.34804719
+            0.602970232      1.22798289      0.72225232
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.229785047     -0.66156030      0.13098905
+            0.092475315      1.51075413      0.89464313
+   })
+ ]
+)
