%chk=000257550.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257550

0 1
S -0.250247 1.259384 1.115284
S 0.660775 1.392108 -0.811178
O 0.524977 0.331539 1.889250
O -0.330366 2.633550 1.528360
O 2.073762 -2.586396 -0.166171
O 0.526496 -1.077218 -0.116772
N 1.696003 -1.427610 -0.175364
C -1.803216 0.688037 0.702420
C -4.374851 -0.213457 0.031917
C -5.750818 -0.695643 -0.338346
C -2.081096 -0.684547 0.668999
C -2.819059 1.610453 0.403137
C -3.359758 -1.133655 0.336399
C -4.094901 1.165616 0.069399
C 2.345604 0.958800 -0.540783
C -5.856904 -0.912123 -1.847272
C 2.718335 -0.368863 -0.288339
C 3.317058 1.953389 -0.657493
C 4.073556 -0.707720 -0.137457
C 4.666600 1.613700 -0.511161
C 5.042890 0.289466 -0.251265
H -5.990146 -1.639372 0.195667
H -6.522416 0.029884 -0.005630
H -1.292509 -1.416187 0.903558
H -2.610722 2.686830 0.440149
H -3.564375 -2.203253 0.306190
H -4.877236 1.885349 -0.166153
H -5.667914 0.015136 -2.402418
H -6.855605 -1.267600 -2.126368
H -5.130593 -1.655634 -2.199736
H 3.026447 2.989908 -0.851005
H 4.352079 -1.747385 0.066876
H 5.430875 2.388903 -0.595456
H 6.097173 0.035711 -0.133439


%chk=000257550-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257550

0 1
S -0.230246 1.590162 0.772839
S 1.009474 1.558986 -1.471503
O 0.646564 0.640036 1.768427
O -0.466508 3.162288 1.143730
O 2.428502 -2.686244 -1.021277
O 0.661097 -1.292470 -0.679370
N 1.926205 -1.525376 -0.746312
C -1.930104 0.828708 0.476292
C -4.486721 -0.239217 0.112424
C -5.869754 -0.822027 -0.131268
C -2.068025 -0.567766 0.493408
C -2.998002 1.721593 0.281428
C -3.367604 -1.089719 0.315104
C -4.283167 1.166485 0.102306
C 2.553593 0.953068 -0.760352
C -6.153061 -1.033515 -1.644288
C 2.877115 -0.414993 -0.499387
C 3.566740 1.920863 -0.503005
C 4.148319 -0.793982 -0.015414
C 4.833392 1.551173 -0.008940
C 5.124149 0.189088 0.239825
H -5.967318 -1.791401 0.392356
H -6.641363 -0.149544 0.288897
H -1.204469 -1.220468 0.641358
H -2.831759 2.803141 0.298692
H -3.509096 -2.176417 0.330319
H -5.138795 1.836834 -0.039925
H -6.092923 -0.077987 -2.195767
H -7.162743 -1.455860 -1.795723
H -5.418292 -1.726719 -2.091458
H 3.329776 2.971575 -0.694337
H 4.347896 -1.855176 0.154944
H 5.584933 2.322074 0.188818
H 6.102097 -0.106092 0.632958


