%chk=000139054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000139054

0 1
S -0.141971 2.219010 1.733959
O -4.272173 -0.798518 -1.147493
N 0.334284 -0.097765 -0.148889
N 1.750546 -3.489422 0.560786
C 0.638616 -1.541270 -0.442218
C 1.841418 -1.998423 0.429091
C -1.024743 0.289341 -0.003354
C 1.368187 0.889222 -0.133046
C 0.869121 -1.801203 -1.930853
C -1.370802 1.405718 0.798076
C 1.250131 2.030750 0.688701
C -2.050959 -0.423214 -0.644603
C 2.522836 0.760739 -0.931000
C -2.689768 1.826913 0.923930
C 0.907900 -3.869712 1.734154
C 3.109757 -4.095282 0.682502
C 2.243453 3.005376 0.727448
C -3.380612 0.002388 -0.473057
C -3.722477 1.123685 0.295428
C 3.526618 1.728931 -0.874380
C 3.397222 2.848841 -0.048134
C -5.679264 -0.460784 -1.076425
H -0.266351 -2.131965 -0.116267
H 1.830171 -1.468410 1.406639
H 2.797954 -1.715258 -0.056862
H 1.750669 -1.273461 -2.320907
H 1.029984 -2.876703 -2.097094
H 0.011132 -1.488824 -2.536963
H -1.855007 -1.280243 -1.284186
H 2.630330 -0.087550 -1.611670
H -2.931336 2.706126 1.526767
H -0.088031 -3.407952 1.634302
H 1.319593 -3.583485 2.713147
H 0.761051 -4.961647 1.725123
H 3.007560 -5.191035 0.744227
H 3.694098 -3.755823 1.550064
H 3.682965 -3.877390 -0.232847
H 2.127776 3.886394 1.361256
H -4.748157 1.449641 0.408556
H 4.417606 1.611251 -1.491067
H 4.183089 3.599031 -0.013055
H -5.854731 0.527336 -1.511422
H -6.032166 -0.521535 -0.042990
H -6.129821 -1.248816 -1.693973


%chk=000139054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000139054

0 1
S -0.092407 2.214542 1.892794
O -4.317043 -0.778724 -1.211834
N 0.357380 -0.071907 -0.125539
N 1.860753 -3.491774 0.566319
C 0.645790 -1.518937 -0.390634
C 1.846975 -2.012794 0.469347
C -1.009856 0.319730 0.016772
C 1.391020 0.917771 -0.125915
C 0.787225 -1.941628 -1.875207
C -1.373340 1.420712 0.847999
C 1.298752 2.071536 0.706700
C -2.046408 -0.369383 -0.659011
C 2.536866 0.811791 -0.962726
C -2.713437 1.824290 0.964598
C 0.901016 -4.020479 1.558243
C 3.216480 -4.041780 0.773743
C 2.293136 3.069914 0.697901
C -3.399692 0.012481 -0.497679
C -3.750106 1.121417 0.306554
C 3.555270 1.788408 -0.940840
C 3.440973 2.926918 -0.113886
C -5.731503 -0.412605 -1.123116
H -0.247973 -2.039016 0.001451
H 1.789459 -1.522556 1.472476
H 2.798345 -1.693486 0.009065
H 1.722240 -1.581372 -2.336535
H 0.805838 -3.044769 -1.913721
H -0.052270 -1.573212 -2.489445
H -1.836685 -1.201355 -1.333918
H 2.628005 -0.030786 -1.649159
H -2.958902 2.681554 1.600487
H -0.120404 -3.662517 1.341689
H 1.151396 -3.722707 2.607906
H 0.886119 -5.123826 1.506826
H 3.175807 -5.145805 0.743979
H 3.674639 -3.742404 1.749974
H 3.885678 -3.703816 -0.037046
H 2.172480 3.948653 1.340605
H -4.787421 1.441285 0.432284
H 4.428651 1.664333 -1.590644
H 4.221654 3.694228 -0.103709
H -5.908657 0.609180 -1.512347
H -6.101646 -0.480855 -0.081380
H -6.258496 -1.145246 -1.752018


