%chk=000191549.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191549

0 1
S 4.607178 -0.478262 0.112310
O -4.614196 0.647973 0.425478
C -2.116861 0.600541 0.077694
C -1.370702 -0.735885 -0.033236
C -3.554638 0.236820 -0.450140
C -1.405551 1.617657 -0.834045
C 0.085253 -0.709814 0.071488
C 0.082545 1.753919 -0.472074
C -3.625303 -1.309602 -0.464773
C 0.759482 0.449541 -0.148245
C -2.160550 1.072011 1.531588
C -2.199345 -1.759029 -0.303670
C 0.783175 -1.987618 0.467636
C 2.219860 0.443292 -0.059450
C 2.251577 -2.083092 0.001409
C 2.893489 -0.751748 0.021823
C 3.104451 1.591153 -0.041978
C 4.418804 1.257253 0.046376
H -3.756938 0.678947 -1.445173
H -1.897501 2.604473 -0.773853
H -1.493084 1.290423 -1.889558
H 0.192413 2.429698 0.403621
H 0.613280 2.250347 -1.311130
H -4.084739 -1.693739 -1.389779
H -4.264138 -1.662284 0.372240
H -2.814975 0.422879 2.131156
H -1.163123 1.039885 1.987478
H -2.531168 2.096317 1.622757
H -1.944556 -2.797572 -0.425170
H 0.740584 -2.061526 1.576909
H 0.228874 -2.867246 0.084795
H 2.290849 -2.491261 -1.034666
H 2.794582 -2.813925 0.634607
H -4.552975 1.601229 0.621647
H 2.726166 2.602839 -0.091529
H 5.275781 1.905704 0.077858


%chk=000191549-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191549

0 1
S 4.723580 -0.515491 0.032471
O -4.692774 0.917389 -0.037440
C -2.137561 0.591001 0.058495
C -1.373739 -0.744062 0.011070
C -3.533933 0.157406 -0.518265
C -1.389864 1.631320 -0.808920
C 0.085905 -0.738402 0.031441
C 0.081770 1.787023 -0.354906
C -3.694144 -1.324599 -0.096040
C 0.779719 0.454183 -0.106591
C -2.270342 1.073658 1.528443
C -2.251339 -1.798689 -0.030107
C 0.842551 -2.038654 0.311758
C 2.249217 0.444368 -0.006631
C 2.262791 -2.081573 -0.314410
C 2.946365 -0.763434 -0.068954
C 3.128136 1.591832 0.128217
C 4.469823 1.263916 0.169286
H -3.476836 0.217966 -1.628978
H -1.895165 2.618508 -0.771237
H -1.405203 1.292525 -1.864513
H 0.130820 2.401667 0.569257
H 0.643666 2.356436 -1.121502
H -4.315806 -1.900557 -0.804989
H -4.201333 -1.374314 0.889852
H -2.854415 0.353745 2.126765
H -1.276874 1.181175 1.997933
H -2.789046 2.048866 1.582169
H -1.980663 -2.859209 -0.023146
H 0.926377 -2.157895 1.413059
H 0.263118 -2.906258 -0.051560
H 2.183511 -2.254482 -1.409414
H 2.833301 -2.931045 0.103019
H -4.602768 1.861605 -0.322286
H 2.772540 2.622326 0.204536
H 5.336615 1.912047 0.282522


