seniority/F2_cc-pvtz/pes_CIo4.dat

20 lines
426 B
Plaintext
Raw Normal View History

2021-11-03 18:08:46 +01:00
0.95 -198.89301980
1.0 -199.01878338
1.05 -199.10902898
1.1 -199.17427984
1.15 -199.22014161
1.2 -199.25199851
1.25 -199.27260529
1.3 -199.28588443
1.35 -199.29311583
1.4 -199.29539178
1.45 -199.29497963
1.5 -199.29267208
1.55 -199.28909670
1.6 -199.28428402
1.65 -199.27905935
1.7 -199.27405514
1.8 -199.26475546
1.9 -199.25665322
2.0 -199.25123332