%chk=000255743.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255743

0 1
S -0.565348 2.958163 0.538360
O 4.824613 1.017552 1.520397
O 4.013171 -2.634995 -1.193256
N 1.923074 1.904568 0.903898
N 2.275598 -1.148139 -0.941830
N 4.424164 -0.806203 0.167818
N 0.581817 0.646960 -0.474564
C -2.663909 1.182862 0.532021
C -3.826836 0.477280 -0.183493
C -2.033213 2.254639 -0.350116
C -4.421403 -0.635292 0.690481
C -5.587025 -1.339112 -0.016887
C -6.181664 -2.454180 0.854979
C -2.906419 3.470654 -0.587673
C 0.682589 1.775125 0.302745
C 2.680406 0.791705 0.488820
C 1.827283 0.032361 -0.359865
C 4.038487 0.425201 0.810167
C -7.342136 -3.158972 0.156270
C 3.610283 -1.604331 -0.688903
C 1.384896 -1.931977 -1.831074
C 5.802372 -1.321102 0.400923
H -3.019001 1.614757 1.488664
H -1.898415 0.424486 0.808144
H -4.614254 1.210360 -0.444052
H -3.474459 0.051554 -1.143652
H -1.682539 1.812973 -1.315899
H -4.765133 -0.215213 1.655474
H -3.636203 -1.373334 0.946496
H -5.245029 -1.761054 -0.981555
H -6.374403 -0.604498 -0.272909
H -6.526401 -2.034381 1.820285
H -5.395885 -3.192115 1.110146
H -2.407535 4.235188 -1.200009
H -3.822711 3.185339 -1.127524
H -3.235296 3.952955 0.343295
H 2.265454 2.629351 1.513423
H -7.759246 -3.953304 0.785571
H -8.156621 -2.463617 -0.076212
H -7.026266 -3.620216 -0.786392
H 0.466513 -2.222989 -1.290807
H 1.903177 -2.847190 -2.177490
H 1.096659 -1.329714 -2.710913
H 6.350724 -0.636947 1.076217
H 6.351206 -1.397057 -0.553657
H 5.765662 -2.323901 0.860537


%chk=000255743-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000255743

0 1
S -0.487013 3.201864 0.615294
O 4.859807 0.920818 1.532795
O 3.727336 -2.745735 -1.224730
N 1.982299 1.942974 0.938231
N 2.089981 -1.095243 -0.900348
N 4.267372 -0.917104 0.140312
N 0.547858 0.781842 -0.399811
C -2.656636 1.341302 0.580623
C -3.746224 0.533237 -0.166894
C -1.997011 2.413032 -0.308546
C -4.343762 -0.594060 0.707075
C -5.416661 -1.428211 -0.027585
C -6.028530 -2.544770 0.849723
C -2.912537 3.582129 -0.702371
C 0.719560 1.896865 0.365680
C 2.669099 0.793309 0.518047
C 1.759276 0.107301 -0.297040
C 3.999631 0.337003 0.803465
C -7.089729 -3.383395 0.105612
C 3.379549 -1.651741 -0.695086
C 1.118882 -1.801295 -1.756722
C 5.603859 -1.524775 0.335007
H -3.092758 1.823389 1.478424
H -1.877023 0.638763 0.929470
H -4.565638 1.203036 -0.496920
H -3.306661 0.090549 -1.084859
H -1.535398 1.942442 -1.193735
H -4.786798 -0.151718 1.623765
H -3.527820 -1.264576 1.048427
H -4.970437 -1.882041 -0.937329
H -6.227733 -0.757454 -0.381333
H -6.482336 -2.089548 1.753773
H -5.217319 -3.209387 1.211232
H -2.380135 4.322441 -1.323840
H -3.767082 3.199197 -1.288580
H -3.318781 4.097307 0.187549
H 2.364562 2.662478 1.551522
H -7.514466 -4.169252 0.756914
H -7.924552 -2.747151 -0.244584
H -6.652491 -3.879860 -0.781282
H 0.211823 -2.046716 -1.178890
H 1.601335 -2.722385 -2.114542
H 0.833466 -1.165184 -2.611559
H 6.172291 -0.856238 0.998158
H 6.115343 -1.634294 -0.635245
H 5.502999 -2.524943 0.787135


