data plain CIPSI

Data/G2_cc-pVDZ.dat

@@ -0,0 +1,67 @@
+Be        -14.61741101
+BeH       -15.18923334
+C         -37.76050114
+C2H2      -77.1109468
+C2H4      -78.35649991
+C2H6      -79.5834817
+CH        -38.38025056
+CH2_1A1   -39.02292896
+CH2_3B1   -39.04192746
+CH3       -39.71633284
+CH3Cl     -499.44091892
+CH4       -40.38755496
+CN        -92.49316793
+CO        -113.05534345
+CO2       -188.149784
+CS        -435.60599183
+Cl        -459.59921683
+Cl2       -919.26412521
+ClF       -559.19444863
+ClO       -534.57426372
+F         -99.52770333
+F2        -199.09818574
+H         -0.4992784
+H2CO      -114.22021595
+H2O       -76.24165057
+H2O2      -151.19382739
+H2S       -398.8641923
+H3COH     -115.42044081
+H3CSH     -438.05482386
+HCN       -93.19016189
+HCO       -113.57564188
+HCl       -460.25501712
+HF        -100.22866223
+HOCl      -535.22969696
+Li        -7.43263686
+Li2       -14.90139263
+LiF       -107.15596609
+LiH       -8.01472826
+N         -54.47835898
+N2        -109.27677437
+N2H4      -111.56718685
+NH        -55.09157748
+NH2       -55.73304031
+NH3       -56.4026668
+NO        -129.59990735
+Na        -161.85420851
+Na2       -323.73377653
+NaCl      -621.59018413
+O         -74.90996889
+O2        -149.98775604
+OH        -75.55967664
+P         -340.79165231
+P2        -681.72627866
+PH2       -342.00929124
+PH3       -342.63840859
+S         -397.60087998
+S2        -795.33180604
+SO        -472.6631306
+SO2       -547.72059833
+Si        -288.91550937
+Si2       -577.92881827
+Si2H6     -581.6110694
+SiH2_1A1  -290.13799899
+SiH2_3B1  -290.10837062
+SiH3      -290.74828195
+SiH4      -291.39324391
+SiO       -364.08184458

Data/G2_cc-pVTZ.dat

@@ -0,0 +1,67 @@
+Be        -14.62380792
+BeH       -15.20308441
+C         -37.7810206
+C2H2      -77.18883518
+C2H4      -78.44007967
+C2H6      -79.67630304
+CH        -38.41102845
+CH2_1A1   -39.06254161
+CH2_3B1   -39.07822853
+CH3       -39.76151658
+CH3Cl     -499.56566900
+CH4       -40.43863394
+CN        -92.5699303
+CO        -113.15667075
+CO2       -188.32915488
+CS        -435.69480669
+Cl        -459.67254947
+Cl2       -919.42921917
+ClF       -559.38115561
+ClO       -534.73620817
+F         -99.62048161
+F2        -199.29758048
+H         -0.49980981
+H2CO      -114.33494314
+H2O       -76.33264288
+H2O2      -151.35859879
+H2S       -398.93650299
+H3COH     -115.5511273
+H3CSH     -438.16945291
+HCN       -93.27659274
+HCO       -113.68378145
+HCl       -460.3382695
+HF        -100.33872976
+HOCl      -535.39624742
+Li        -7.44606858
+Li2       -14.93107413
+LiF       -107.27867911
+LiH       -8.03671476
+N         -54.51468703
+N2        -109.37539664
+N2H4      -111.69452439
+NH        -55.14104826
+NH2       -55.79409667
+NH3       -56.4737212
+NO        -129.71851403
+Na        -161.86983034
+Na2       -323.76912633
+NaCl      -621.69126301
+O         -74.97407535
+O2        -150.13064236
+OH        -75.63813567
+P         -340.82179911
+P2        -681.81351504
+PH2       -342.05778624
+PH3       -342.69359077
+S         -397.65413283
+S2        -795.46379099
+SO        -472.81122658
+SO2       -547.97252336
+Si        -288.93386799
+Si2       -577.97843816
+Si2H6     -581.69750121
+SiH2_1A1  -290.17162784
+SiH2_3B1  -290.13965157
+SiH3      -290.78701541
+SiH4      -291.43818631
+SiO       -364.19634869