%chk=000276160.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276160

0 1
S -3.722538 -0.204963 -1.363232
O -3.441158 1.114488 1.607806
O -2.179253 -0.094485 3.130987
O -1.175778 -1.453822 1.323360
O -0.132011 1.275386 0.608369
O 0.498075 2.876525 -0.861858
O 5.856461 -1.500613 -2.202812
O 4.699889 -3.116620 -1.344507
N -2.561234 -1.894913 -3.339056
N 4.866974 -1.949340 -1.650310
C -2.359883 0.034839 -0.190455
C -2.580801 1.402394 0.473411
C -2.464724 -0.996808 0.960360
C -3.163460 -0.205949 2.112362
C -1.290708 2.051278 1.016216
C -2.638134 0.524895 4.353912
C 0.687303 1.785808 -0.384177
C -3.000244 -1.211055 -2.519603
C 1.753877 0.794796 -0.694473
C 2.917715 1.260870 -1.327145
C 1.597032 -0.562605 -0.380645
C 3.938750 0.363791 -1.642149
C 2.615271 -1.465835 -0.694780
C 3.775964 -0.991070 -1.319378
H -1.365250 -0.045411 -0.689212
H -3.176089 2.130230 -0.122468
H -3.001939 -1.932144 0.687528
H -4.128809 -0.582979 2.485406
H -1.179679 3.103169 0.694489
H -1.255594 1.976570 2.125136
H -0.690251 -0.758269 1.852458
H -3.057504 1.513882 4.142267
H -3.367093 -0.124494 4.847554
H -1.715998 0.598680 4.943447
H 3.017024 2.322840 -1.575348
H 0.679917 -0.918780 0.111497
H 4.856775 0.703870 -2.136257
H 2.513105 -2.532553 -0.458603


%chk=000276160-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276160

0 1
S -5.019868 -0.145271 -0.865088
O -2.960585 1.234963 1.656955
O -0.997615 -0.096253 2.161347
O -1.460463 -1.649804 0.209093
O -0.626123 1.433106 -0.529818
O 0.599980 2.683083 1.021669
O 6.067966 -1.554840 -0.351056
O 4.720463 -2.861724 -1.647441
N -5.044545 -2.834037 -2.053479
N 4.929522 -1.841509 -0.886851
C -3.147174 0.060065 -0.434983
C -3.007499 1.470989 0.192040
C -2.663138 -0.963039 0.641155
C -2.429463 -0.095981 1.928772
C -1.815521 2.289404 -0.326204
C -0.580341 0.569602 3.409126
C 0.521392 1.724393 0.218397
C -4.998659 -1.740288 -1.563708
C 1.632850 0.773715 -0.090536
C 2.907556 1.049436 0.470575
C 1.442985 -0.368885 -0.911310
C 3.994794 0.195499 0.213515
C 2.523930 -1.231927 -1.174232
C 3.782154 -0.933434 -0.608119
H -2.583576 -0.082700 -1.366967
H -3.907354 2.096774 0.037251
H -3.437432 -1.726151 0.828915
H -2.961877 -0.451210 2.829814
H -2.057027 2.709946 -1.318439
H -1.572440 3.099199 0.383804
H -0.718124 -1.316482 0.790645
H -0.815677 1.646112 3.360827
H -1.080022 0.102882 4.280238
H 0.507793 0.425585 3.476648
H 3.024991 1.937413 1.099225
H 0.455232 -0.577791 -1.329558
H 4.989224 0.382375 0.626237
H 2.409692 -2.121612 -1.798362


