seniority/ethylene_cc-pvdz/pes_ooCIo1.5.dat
2022-02-01 20:49:03 +01:00

56 lines
1.4 KiB
Plaintext

1.5 -77.09868696
1.6 -77.42039414
1.7 -77.66122473
1.8 -77.84004582
1.9 -77.97132185
2.0 -78.06595816
2.1 -78.13270634
2.2 -78.17793477
2.3 -78.20660387
2.4 -78.22287900
2.5 -78.22943553
2.52053 -78.22989302
2.6 -78.22885250
2.7 -78.22282180
2.8 -78.21282944
2.9 -78.19987524
3.0 -78.18498868
3.1 -78.16875918
3.2 -78.15167713
3.3 -78.13425717
3.4 -78.11675580
3.5 -78.09933220
3.6 -78.08227883
3.7 -78.06562489
3.8 -78.04956936
3.9 -78.03406873
4.0 -78.01922720
4.2 -77.99146232
4.4 -77.96612588
4.6 -77.94323302
4.8 -77.92350615
5.0 -77.90416517
5.2 -77.88845438
5.4 -77.87353157
5.6 -77.85932726
5.8 -77.84808309
6.0 -77.83727518
6.2 -77.82759369
6.4 -77.75618965
6.6 -77.75774379
6.8 -77.80126271
7.0 -77.80233017
7.2 -77.80322379
7.4 -77.80397424
7.6 -77.80460250
7.8 -77.80513072
8.0 -77.80557176
9.0 -77.80696835
10.0 -77.80770569
11.0 -77.80817895
12.0 -77.80849878
13.0 -77.80871785
14.0 -77.80887348
15.0 -77.80898632
16.0 -77.80906971