%chk=000108735.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000108735

0 1
S 2.648513 2.203791 0.581286
S -3.365929 1.345562 0.321220
O -2.767642 1.736686 -0.935940
O -4.598533 1.935595 0.750514
O -2.192921 1.725649 1.465008
N 1.026559 0.592187 -0.700496
C -0.247607 -0.025466 -1.135306
C -0.947630 -0.771804 0.015457
C -2.403630 -1.119206 -0.327425
C 2.152417 -0.190734 -0.336210
C 1.080025 1.937502 -0.245786
C -3.427051 -0.386961 0.542235
C 3.153294 0.543021 0.352651
C 2.358115 -1.545576 -0.629257
C 0.181442 2.905653 -0.409340
C 4.342035 -0.043967 0.748663
C 3.563237 -2.132665 -0.226661
C 4.543032 -1.400980 0.453903
H -0.036492 -0.714390 -1.982853
H -0.914817 0.782657 -1.542508
H -0.385494 -1.694292 0.260886
H -0.889909 -0.163702 0.945540
H -2.612018 -0.919408 -1.401166
H -2.556209 -2.212662 -0.204987
H -3.260848 -0.651589 1.613376
H -4.445881 -0.784516 0.339359
H 1.613358 -2.125666 -1.164269
H 0.333796 3.921445 -0.082770
H -0.750627 2.776825 -0.954969
H -1.510574 2.375372 1.194643
H 5.105182 0.527722 1.275628
H 3.740104 -3.185305 -0.450808
H 5.469305 -1.884779 0.755281


%chk=000108735-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108735

0 1
S 2.618157 2.265714 0.691966
S -3.393878 1.476906 0.306004
O -2.977633 1.776339 -1.246484
O -4.733291 2.143129 0.907355
O -1.984795 1.847927 1.397787
N 1.001174 0.571674 -0.573516
C -0.236973 -0.063976 -1.078575
C -0.954246 -0.902114 0.020444
C -2.451241 -1.173973 -0.317566
C 2.164382 -0.184101 -0.294535
C 1.025806 1.909573 -0.154066
C -3.462027 -0.449316 0.573610
C 3.164533 0.553091 0.394374
C 2.399948 -1.534539 -0.635298
C 0.033821 2.864356 -0.287161
C 4.389309 -0.025161 0.758555
C 3.635012 -2.121120 -0.276071
C 4.622379 -1.380256 0.415177
H 0.019950 -0.695022 -1.949867
H -0.915727 0.723349 -1.443094
H -0.419886 -1.858213 0.164075
H -0.883906 -0.352042 0.976274
H -2.666202 -0.934203 -1.376702
H -2.673451 -2.253127 -0.197165
H -3.271113 -0.542193 1.654293
H -4.511914 -0.682261 0.329919
H 1.648535 -2.119425 -1.174068
H 0.246860 3.886395 0.036995
H -0.769471 2.745067 -1.024670
H -1.216146 2.326804 0.848970
H 5.149636 0.553678 1.291635
H 3.826373 -3.166421 -0.540270
H 5.572625 -1.850539 0.686575


