seniority/N2_cc-pvdz/pes_CISDTQQ.dat

40 lines
863 B
Plaintext
Raw Normal View History

2022-01-28 20:46:59 +01:00
0.7 -107.84569932
0.75 -108.32223600
0.8 -108.66047387
0.85 -108.89672678
0.9 -109.05766212
0.95 -109.16306302
1.0 -109.22772127
1.05 -109.26275567
1.1 -109.27651720
1.15 -109.27532387
1.2 -109.26382433
1.3 -109.22292704
1.4 -109.17210166
1.5 -109.12103135
1.6 -109.07457995
1.7 -109.03498417
1.8 -109.00299758
1.9 -108.97853307
2.0 -108.96063461
2.1 -108.94794880
2.2 -108.93899029
2.3 -108.93251392
2.4 -108.92770547
2.5 -108.92397728
2.6 -108.92098065
2.7 -108.91852307
2.8 -108.91648213
2.9 -108.91475566
3.0 -108.91327009
3.1 -108.91201146
3.2 -108.91093459
3.3 -108.90998384
3.4 -108.90915773
3.5 -108.90845334
3.6 -108.90783123
3.7 -108.90730277
3.8 -108.90683590
3.9 -108.90648108
4.0 -108.90611148