%chk=000197653.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197653

0 1
Cl 5.120251 -4.481536 0.507362
S -3.279083 1.374408 -0.070907
F -9.404061 -0.106760 0.117954
O 2.233068 -3.647913 0.991030
N 4.669595 2.592110 0.074077
C 2.774319 1.024972 -0.324368
C 3.411955 2.034669 0.668219
C 3.337129 -0.365855 -0.110307
C 5.804067 1.614032 0.138265
C 5.592364 0.500458 -0.903674
C 4.708808 -0.601218 -0.391418
C 1.262562 1.082961 -0.239011
C 2.538079 -1.413269 0.348017
C 5.043885 3.865533 0.760799
C 5.254456 -1.873560 -0.196611
C 0.512911 1.138667 -1.425043
C 0.598428 1.092176 0.999103
C 3.096144 -2.689642 0.536929
C 4.452431 -2.918210 0.267405
C -0.882568 1.204994 -1.376993
C -0.796138 1.159455 1.052003
C -1.524601 1.214380 -0.137811
C -3.821848 -0.374083 -0.109652
C -5.309651 -0.301738 -0.048952
C -6.060427 -0.218295 -1.234926
C -5.965736 -0.309540 1.194684
C -7.454354 -0.151787 -1.190363
C -7.358715 -0.243987 1.263701
C -8.071466 -0.167350 0.063731
H 3.075532 1.350671 -1.364492
H 2.701759 2.877828 0.827389
H 3.567059 1.554066 1.656795
H 5.945585 1.171845 1.147672
H 6.744011 2.156403 -0.106954
H 6.580748 0.103550 -1.210859
H 5.155079 0.936571 -1.830531
H 1.476212 -1.282763 0.564182
H 5.927061 4.296375 0.261339
H 5.264371 3.767828 1.833547
H 4.225862 4.594528 0.637889
H 6.309007 -2.062462 -0.405421
H 1.016954 1.130994 -2.390837
H 1.168919 1.038268 1.925272
H -1.458021 1.253894 -2.302619
H -1.305306 1.171465 2.016834
H 2.664501 -4.535815 1.104384
H -3.385654 -0.929369 0.742044
H -3.455041 -0.868347 -1.028917
H -5.553048 -0.199281 -2.200007
H -5.384826 -0.361516 2.116091
H -8.038495 -0.086482 -2.106867
H -7.869674 -0.249323 2.225122


%chk=000197653-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197653

0 1
Cl 4.768507 -4.698961 0.496497
S -3.374342 1.696210 -0.060105
F -9.530285 -0.754882 0.134641
O 1.928477 -3.599834 0.982091
N 4.864811 2.582646 0.123111
C 2.823779 1.126393 -0.320999
C 3.556424 2.120918 0.642797
C 3.299056 -0.324411 -0.120951
C 5.926754 1.548202 0.106854
C 5.653323 0.391285 -0.888203
C 4.663087 -0.654343 -0.399822
C 1.305834 1.278825 -0.237631
C 2.420501 -1.331167 0.333903
C 5.317096 3.813521 0.808130
C 5.100713 -1.986306 -0.209002
C 0.527874 1.269017 -1.423447
C 0.631737 1.421024 1.004050
C 2.857251 -2.660862 0.528117
C 4.206859 -2.966526 0.249140
C -0.878344 1.393711 -1.377582
C -0.774190 1.543255 1.059729
C -1.536285 1.523122 -0.132042
C -3.841351 -0.182692 -0.127534
C -5.337908 -0.338336 -0.060393
C -6.119418 -0.351121 -1.245840
C -5.995464 -0.459080 1.192327
C -7.523308 -0.490407 -1.193159
C -7.397892 -0.599322 1.269858
C -8.128673 -0.611691 0.069353
H 3.135439 1.445137 -1.337212
H 2.921864 3.019853 0.746410
H 3.649063 1.659302 1.659148
H 6.109302 1.119837 1.126186
H 6.859944 2.054488 -0.205464
H 6.617477 -0.105749 -1.102433
H 5.310554 0.851278 -1.836760
H 1.369769 -1.114806 0.541999
H 6.240034 4.185832 0.328457
H 5.530258 3.669362 1.897060
H 4.543503 4.596152 0.713473
H 6.139981 -2.257429 -0.420222
H 1.028820 1.166558 -2.393679
H 1.204142 1.431739 1.938876
H -1.464760 1.402036 -2.302658
H -1.283591 1.652995 2.022892
H 2.362346 -4.489990 1.069867
H -3.331732 -0.654946 0.727138
H -3.420229 -0.571866 -1.068072
H -5.625342 -0.249714 -2.218641
H -5.404688 -0.442447 2.115026
H -8.136153 -0.505566 -2.098935
H -7.916223 -0.697242 2.227956


