%chk=000218925.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218925

0 1
S -7.960006 -0.146334 1.668502
O 0.916902 0.984279 -0.175980
N -6.369046 0.234070 -0.461883
N 2.582987 -0.643478 0.075702
C -5.103367 -0.534315 -0.219522
C -3.912791 0.436751 -0.294889
C -7.493349 -0.641120 -0.918709
C -2.583784 -0.313873 -0.149547
C -6.827589 0.979164 0.720773
C -8.217098 -1.286667 0.269368
C -1.395965 0.651507 -0.224097
C -0.078082 -0.102522 -0.084365
C 2.228670 0.639642 -0.087561
C 4.930950 0.114704 0.073019
C 4.487139 1.478174 -0.103056
C 3.140788 1.742913 -0.183454
C 3.946263 -0.914121 0.157503
C 6.304316 -0.257447 0.167096
C 5.481338 2.586409 -0.196431
C 4.346340 -2.278441 0.332220
C 6.670185 -1.571739 0.334655
C 5.679333 -2.591277 0.417881
H -5.105485 -1.075082 0.751718
H -5.000796 -1.307646 -1.011678
H -3.944112 0.986018 -1.257971
H -4.000172 1.213067 0.489606
H -8.193909 0.009124 -1.493124
H -7.122215 -1.404192 -1.632875
H -2.563407 -0.864314 0.812056
H -2.494999 -1.082529 -0.942721
H -6.006001 1.313976 1.380131
H -7.406953 1.867888 0.395100
H -9.297413 -1.409833 0.085342
H -7.807010 -2.277779 0.526581
H -1.406006 1.212637 -1.180942
H -1.468815 1.425893 0.566592
H 0.048512 -0.601982 0.890560
H 0.116224 -0.815667 -0.902637
H 2.737168 2.742565 -0.315393
H 7.066521 0.518723 0.104108
H 5.008977 3.570161 -0.329429
H 6.162858 2.442654 -1.048575
H 6.097585 2.649541 0.713280
H 3.567865 -3.039386 0.393042
H 7.718449 -1.853548 0.406244
H 6.000502 -3.624467 0.550960


%chk=000218925-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218925

0 1
S -7.825541 -0.604487 1.869084
O 0.967691 1.175800 -0.235105
N -6.479516 0.235340 -0.412371
N 2.560489 -0.537522 0.092485
C -5.153566 -0.444087 -0.317836
C -3.979973 0.554941 -0.339721
C -7.580283 -0.631257 -0.896165
C -2.610869 -0.151572 -0.221666
C -6.936019 0.843308 0.812862
C -8.029317 -1.589461 0.261609
C -1.427224 0.841518 -0.278961
C -0.082607 0.129098 -0.126332
C 2.285926 0.753653 -0.116890
C 4.975763 0.074729 0.093237
C 4.623349 1.464741 -0.135920
C 3.273283 1.790508 -0.237718
C 3.902463 -0.892146 0.201081
C 6.325765 -0.380767 0.216950
C 5.692254 2.530475 -0.261741
C 4.218015 -2.267206 0.427942
C 6.611180 -1.733155 0.439111
C 5.549234 -2.681850 0.545356
H -5.094851 -1.076370 0.599512
H -5.065210 -1.119019 -1.190104
H -4.029755 1.140233 -1.278110
H -4.085262 1.281684 0.490846
H -8.432901 0.013013 -1.179277
H -7.257803 -1.194630 -1.788373
H -2.571715 -0.723479 0.728877
H -2.507853 -0.896382 -1.038487
H -6.120330 1.252070 1.423827
H -7.721112 1.591516 0.632203
H -9.084051 -1.887298 0.152184
H -7.391536 -2.486820 0.316678
H -1.440647 1.388638 -1.241249
H -1.529941 1.598417 0.522585
H 0.016445 -0.377367 0.852074
H 0.084311 -0.627233 -0.916539
H 2.938270 2.816852 -0.409573
H 7.147249 0.339342 0.136839
H 5.243575 3.522350 -0.434602
H 6.377499 2.314584 -1.103012
H 6.310436 2.590538 0.653771
H 3.385329 -2.973138 0.505591
H 7.650238 -2.067443 0.532301
H 5.780617 -3.738558 0.719946


