seniority/ethylene_cc-pvdz/pes_CIo2.5.dat
2022-01-14 17:05:13 +01:00

56 lines
1.4 KiB
Plaintext

1.5 -77.19297775
1.6 -77.51479513
1.7 -77.75597886
1.8 -77.93529200
1.9 -78.06707818
2.0 -78.16229152
2.1 -78.22935905
2.2 -78.27478603
2.3 -78.30361357
2.4 -78.31976345
2.5 -78.32628912
2.52053 -78.32666485
2.6 -78.32556908
2.7 -78.31945559
2.8 -78.30938886
2.9 -78.29649133
3.0 -78.28163958
3.1 -78.26550514
3.2 -78.24862114
3.3 -78.23139096
3.4 -78.21412821
3.5 -78.19708014
3.6 -78.18043572
3.7 -78.16432695
3.8 -78.14883609
3.9 -78.13400709
4.0 -78.11986364
4.2 -78.09367404
4.4 -78.07028035
4.6 -78.04961090
4.8 -78.03153089
5.0 -78.01584781
5.2 -78.00233748
5.4 -77.99076713
5.6 -77.98090781
5.8 -77.97256165
6.0 -77.96553706
6.2 -77.95961929
6.4 -77.95463629
6.6 -77.95044647
6.8 -77.94692516
7.0 -77.94396513
7.2 -77.94147523
7.4 -77.93937830
7.6 -77.93760750
7.8 -77.93610920
8.0 -77.93483662
9.0 -77.93077796
10.0 -77.92886796
11.0 -77.92790462
12.0 -77.92734822
13.0 -77.92696700
14.0 -77.92667011
15.0 -77.92642251
16.0 -77.92621175