NOSYM 0 ADF 2019 2019-06-03 x86_64_linux_intel / intelmpi Jun10-2022 12:26:31 Fluorine (TZ2P) c1-35 c1-35 c1-35 c1-35 c1-35 c1-35 c1-35 c1-35 c1-35 c1-35 c1-35 c1-35 c1-35 c1-35 c1-35 c1-35 c1-35 c1-35 c1-35 c1-35 SINGLE POINT DFT PBEc PBEx TZ2P TZ2P TZ2P 137.3681032 AuxInfo=1/0/N:1,3,4,5,2/E:(2,3,4)/rA:5CFClClCl/rB:s1;s1;s1;s1;/rC:;;;;; PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) t21.C ADF 2019 Jun10-2022 12:26:27 1 1 Carbon TZ2P t21.F ADF 2019 Jun10-2022 12:26:23 1 1 Fluorine TZ2P t21.Cl ADF 2019 Jun10-2022 12:26:25 1 1 Chlorine TZ2P 6.23 0.75 9.48 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -8.990 -8.990 -8.958 -8.958 -8.170 -8.170 -8.139 -8.139 -7.776 -7.776 -2.464 -2.464 -1.082 -1.082 -1.075 -1.075 0.434 0.434 0.988 0.988 A1/2 A1/2 A1/2 A1/2 A1/2 A1/2 A1/2 A1/2 A1/2 A1/2 A1/2 A1/2 A1/2 A1/2 A1/2 A1/2 A1/2 A1/2 A1/2 A1/2 1 2 3 4 5 C F Cl Cl Cl 0.4882 -0.2907 -0.0659 -0.0657 -0.0658 3.0176 3.9377 5.9422 5.9422 5.9422 2.3169 5.3067 11.0432 11.0431 11.0431 0.1675 0.0413 0.0649 0.0649 0.0649 0.0098 0.0051 0.0156 0.0156 0.0156 1 2 3 4 5 C F Cl Cl Cl -0.317835 -0.333827 0.217165 0.217317 0.217180 -0.138003 0.006814 0.043779 0.043638 0.043773 -1.016075 0.199308 0.208504 0.274334 0.333929 0.80093311 -0.20168052 0.08683505 -0.19985914 1.11067441 -0.60107398 -23.8439 23.9980 0.9869 -20.1426 -0.1405 -19.1420 Jun10-2022 12:26:23 Nodes: 1 Procs: 1 Jun10-2022 12:26:23 Nodes: 1 Procs: 1 0 Jun10-2022 12:26:25 Nodes: 1 Procs: 1 Jun10-2022 12:26:25 Nodes: 1 Procs: 1 Chlorine (TZ2P) 0 Jun10-2022 12:26:27 Nodes: 1 Procs: 1 Jun10-2022 12:26:27 Nodes: 1 Procs: 1 Carbon (TZ2P) 0 Jun10-2022 12:26:31 Nodes: 1 Procs: 20 *** (NO TITLE) *** 0 ADF 2019 2019-06-03 x86_64_linux_intel / intelmpi Jun10-2022 12:26:44 137.3681032 AuxInfo=1/0/N:1,3,4,5,2/E:(2,3,4)/rA:5CFClClCl/rB:s1;s1;s1;s1;/rC:;;;;; F 2 -331.232 476.394 4.483 149.646