%chk=000270086.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270086

0 1
S -6.337941 -2.912300 0.778558
O -1.998883 2.902412 1.540310
O 7.457546 -2.048169 -0.341103
N -2.721124 0.425567 -0.016780
N -3.427783 -1.445434 1.124450
N -4.773126 0.798276 -1.417338
N -6.501241 -0.874730 -0.967142
C 0.582450 1.865264 -0.718308
C 0.239231 2.254025 0.749492
C 1.940677 1.166884 -0.925705
C 2.219696 0.079326 0.138286
C -0.604576 1.005183 -1.211479
C 0.623789 1.163297 1.772946
C 2.044815 0.642445 1.563217
C -1.849991 1.517424 -0.461395
C -1.304618 2.324033 0.753358
C 3.088839 2.193038 -0.945933
C 0.820491 3.611996 1.131661
C 3.607877 -0.501367 -0.011072
C 4.408316 1.523389 -1.340565
C 4.641769 0.195582 -0.673327
C 3.874190 -1.759244 0.545811
C 5.919037 -0.366180 -0.757783
C -4.010895 0.149456 -0.477210
C -2.421041 -0.579920 0.957429
C 5.142353 -2.339995 0.471366
C 6.155167 -1.626896 -0.181345
C -4.441785 -1.029313 0.249625
C -5.739456 -1.504980 -0.049589
C -5.991819 0.242031 -1.608021
C 7.823766 -3.336710 0.207873
C -7.991989 -3.157435 0.112067
H 0.593467 2.805969 -1.326087
H 1.915564 0.662689 -1.926145
H 1.472430 -0.741283 -0.012514
H -0.425169 -0.068782 -1.014788
H -0.734868 1.085549 -2.304337
H -0.090635 0.311616 1.711429
H 0.517162 1.566875 2.800223
H 2.784469 1.447517 1.742601
H 2.273690 -0.140617 2.311371
H -2.450823 2.214729 -1.111950
H 3.185124 2.666241 0.053583
H 2.864301 3.014827 -1.651020
H 0.466375 3.933208 2.121633
H 1.918057 3.573623 1.166299
H 0.538934 4.399875 0.423976
H 5.251186 2.211838 -1.120451
H 4.435891 1.367340 -2.441884
H 3.076454 -2.304869 1.052134
H 6.736014 0.146316 -1.259782
H -1.466202 -0.585801 1.480964
H 5.320882 -3.314234 0.910143
H -6.657057 0.717014 -2.347939
H 7.247199 -4.132366 -0.272340
H 7.695938 -3.337537 1.294015
H 8.885669 -3.402293 -0.063120
H -7.976477 -3.324780 -0.973713
H -8.640500 -2.289396 0.295654
H -8.427822 -4.036825 0.602090


%chk=000270086-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270086

0 1
S -7.406226 -2.352784 0.595939
O -1.929368 2.231953 2.120950
O 7.984235 -1.567317 -0.665259
N -3.003325 0.115683 0.345419
N -4.308107 -1.406925 1.472326
N -4.549571 0.693031 -1.496466
N -6.671646 -0.522883 -1.333954
C 0.471732 1.357419 -0.501398
C 0.244655 1.923201 0.944242
C 1.892352 0.821113 -0.833389
C 2.487658 -0.060028 0.303156
C -0.653738 0.293957 -0.678745
C 0.901512 0.982914 2.018778
C 2.369626 0.655209 1.681131
C -1.880717 0.974673 -0.027281
C -1.278576 1.787405 1.149288
C 2.892871 1.939957 -1.221089
C 0.684657 3.388483 1.161653
C 3.934207 -0.472822 0.015248
C 4.181476 1.328026 -1.805915
C 4.747155 0.203945 -0.941974
C 4.502695 -1.545989 0.741693
C 6.087879 -0.198516 -1.125445
C -4.201750 0.023715 -0.365190
C -3.129657 -0.758682 1.437408
C 5.839537 -1.958930 0.559449
C 6.639402 -1.268571 -0.384877
C -4.999780 -0.926584 0.345157
C -6.286496 -1.179060 -0.200914
C -5.804681 0.364873 -1.918641
C 8.597834 -2.671257 0.075029
C -8.890115 -2.219095 -0.554561
H 0.255155 2.181448 -1.215948
H 1.784752 0.175668 -1.733361
H 1.881938 -0.989488 0.377253
H -0.407429 -0.644893 -0.148688
H -0.832389 0.048704 -1.738755
H 0.338194 0.028747 2.092850
H 0.814782 1.473222 3.006068
H 2.986305 1.574231 1.682728
H 2.790278 0.002479 2.469303
H -2.293680 1.713991 -0.747289
H 3.143081 2.561950 -0.340904
H 2.430404 2.614264 -1.967927
H 0.246070 3.774291 2.099499
H 1.782085 3.476746 1.230945
H 0.344155 4.035649 0.332607
H 4.949719 2.110868 -1.952972
H 3.958812 0.921311 -2.814951
H 3.880649 -2.082153 1.470328
H 6.728817 0.310959 -1.853722
H -2.345062 -0.869109 2.182574
H 6.235355 -2.796984 1.140503
H -6.164924 0.863405 -2.822674
H 8.079503 -3.629450 -0.125458
H 8.602071 -2.474082 1.165051
H 9.632210 -2.725747 -0.295050
H -8.602246 -2.521195 -1.570686
H -9.257847 -1.184031 -0.565961
H -9.643494 -2.903516 -0.134730


