%chk=000262782.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262782

0 1
S -0.084185 -0.647648 -1.122350
O 2.210002 -0.776721 -2.480301
C -1.401461 -0.201237 0.103957
C -1.093372 1.154297 0.708045
C -2.624692 -0.131407 -0.796789
C -1.445801 -1.327265 1.115384
C -1.433877 1.438468 2.041162
C -3.575555 0.887929 -0.625229
C -0.447092 -1.423535 2.103689
C -0.517353 2.168014 -0.075749
C -2.823641 -1.082708 -1.813227
C -2.458749 -2.298030 1.092636
C 1.492609 -0.499948 -0.239452
C -1.158067 2.692296 2.592554
C -4.689027 0.968856 -1.465363
C -0.446251 -2.477375 3.018385
C -0.242116 3.420462 0.479225
C -3.934530 -0.991507 -2.656980
C -2.456254 -3.353443 2.010625
C 2.517618 -0.486734 -1.345143
C -0.553610 3.684926 1.816150
C -4.868970 0.033945 -2.488550
C -1.448814 -3.451709 2.972350
C 3.912575 -0.087855 -0.980215
C 4.399568 -0.166547 0.331878
C 4.753618 0.365663 -2.009266
C 5.714610 0.213691 0.612304
C 6.066115 0.750645 -1.725108
C 6.546605 0.675183 -0.414048
H -1.926287 0.683153 2.655753
H -3.454111 1.629188 0.165841
H 0.327543 -0.661211 2.175910
H -0.293271 1.994953 -1.131887
H -2.129161 -1.915126 -1.957499
H -3.267496 -2.243273 0.362681
H 1.532426 0.418082 0.378193
H 1.645453 -1.365010 0.436335
H -1.420728 2.895978 3.629406
H -5.416541 1.766071 -1.321670
H 0.336115 -2.539217 3.772827
H 0.211782 4.195122 -0.137448
H -4.069381 -1.726122 -3.449757
H -3.247605 -4.100962 1.972066
H -0.335222 4.660001 2.246635
H -5.731312 0.102884 -3.148296
H -1.445311 -4.275719 3.682351
H 3.764058 -0.529445 1.138701
H 4.370571 0.408146 -3.033270
H 6.092843 0.149989 1.631323
H 6.714069 1.105112 -2.525533
H 7.570758 0.973597 -0.191138


%chk=000262782-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262782

0 1
S -0.118128 -0.311829 -1.518341
O 2.496493 -0.366555 -2.791073
C -1.422423 -0.030254 -0.054065
C -1.192989 1.351586 0.599049
C -2.789018 -0.051663 -0.790973
C -1.257865 -1.207592 0.932465
C -1.596116 1.590459 1.941121
C -3.855372 0.777535 -0.354917
C -0.254312 -1.168654 1.942839
C -0.701612 2.449448 -0.153524
C -3.031572 -0.928428 -1.884121
C -2.058816 -2.376808 0.847246
C 1.499282 -0.195054 -0.573235
C -1.486209 2.875393 2.518072
C -5.117556 0.734152 -0.988195
C -0.051064 -2.255975 2.818684
C -0.589782 3.734964 0.420741
C -4.289555 -0.965489 -2.523934
C -1.858783 -3.465499 1.724328
C 2.677431 -0.251416 -1.544883
C -0.977628 3.955705 1.762089
C -5.342898 -0.136028 -2.077628
C -0.850720 -3.416349 2.712998
C 4.063970 -0.170622 -0.967090
C 4.310638 -0.047707 0.427237
C 5.165839 -0.220105 -1.864392
C 5.633610 0.024637 0.912674
C 6.485822 -0.147814 -1.378800
C 6.723334 -0.025082 0.012050
H -2.003189 0.768454 2.539181
H -3.701568 1.471575 0.475950
H 0.355525 -0.267676 2.066037
H -0.408515 2.283626 -1.196480
H -2.228669 -1.580105 -2.244948
H -2.853198 -2.436691 0.098643
H 1.520654 0.753763 -0.004373
H 1.563038 -1.031524 0.145916
H -1.803884 3.030899 3.555423
H -5.921474 1.388084 -0.631643
H 0.727776 -2.192849 3.587449
H -0.203158 4.563828 -0.182954
H -4.443178 -1.643804 -3.370698
H -2.496658 -4.352225 1.635467
H -0.889320 4.952383 2.208811
H -6.319537 -0.163417 -2.573652
H -0.696892 -4.261662 3.392760
H 3.477439 -0.008782 1.137090
H 4.954024 -0.315498 -2.934553
H 5.816925 0.119333 1.988475
H 7.328932 -0.186748 -2.077050
H 7.750022 0.030975 0.390826


