%chk=000085029.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000085029

0 1
S -1.801740 -1.137827 0.281751
O -0.229722 -0.807044 0.730725
O -2.508921 -1.472197 1.484993
O -1.700570 -2.070479 -0.822226
N 0.936320 0.165009 -1.108083
C -1.317365 1.284244 -0.906914
C -0.307702 0.555894 -1.819010
C -2.416800 0.389298 -0.348918
C 0.860228 -1.024318 -0.230282
C 1.885920 1.167198 -0.848117
C 3.031031 -0.280582 0.744169
C 2.060704 -1.217213 0.628271
C 2.935881 0.955957 -0.011495
C 4.224021 -0.468284 1.622564
H -0.776049 1.775826 -0.067418
H -1.785933 2.114092 -1.476193
H -0.035959 1.208270 -2.679292
H -0.756782 -0.361078 -2.277536
H -3.178301 0.192975 -1.135481
H -2.981815 0.940226 0.435191
H 0.594461 -1.921359 -0.849536
H 1.777389 2.097237 -1.415075
H 2.059095 -2.138688 1.203636
H 3.715836 1.699783 0.108988
H 4.265198 0.307763 2.401009
H 4.224780 -1.439026 2.136387
H 5.157895 -0.404078 1.046295


%chk=000085029-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085029

0 1
S -1.928777 -1.186323 0.397114
O -0.194511 -0.731080 0.937814
O -2.850614 -1.506575 1.688313
O -1.805186 -2.274816 -0.819315
N 0.944747 0.234952 -1.020151
C -1.361307 1.307333 -0.995733
C -0.255207 0.558670 -1.822195
C -2.525849 0.474558 -0.456749
C 0.883788 -0.956080 -0.196253
C 1.902808 1.214296 -0.788745
C 3.109390 -0.266379 0.739490
C 2.127902 -1.225012 0.566286
C 2.972611 1.007524 0.058187
C 4.335119 -0.523634 1.592017
H -0.869841 1.846761 -0.167711
H -1.821022 2.072683 -1.653373
H 0.060023 1.199819 -2.663343
H -0.657573 -0.380911 -2.243626
H -3.200139 0.085922 -1.237236
H -3.083160 0.980826 0.346128
H 0.479843 -1.810506 -0.767711
H 1.771215 2.146881 -1.346700
H 2.194246 -2.204145 1.048190
H 3.725264 1.790900 0.180281
H 4.387125 0.200494 2.427382
H 4.326075 -1.538389 2.023297
H 5.264127 -0.406170 1.002743


