%chk=000180614.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180614

0 1
S 3.403158 0.518964 -0.203153
O -0.884260 -2.052544 0.091948
N -0.385279 1.399804 0.492344
N 1.062478 -0.851975 -0.301755
N 0.971373 1.514298 0.237065
N 1.804501 -2.051814 -0.338793
C -2.619654 0.298529 0.102402
C -1.105613 0.355577 -0.316467
C -3.336777 -0.704497 -0.815949
C -2.756710 -0.130048 1.567246
C -3.246546 1.692153 -0.101422
C -0.366496 -0.985378 -0.113170
C 1.650155 0.433605 -0.031483
C 2.222531 -2.538449 1.010484
C 3.823196 2.138608 0.464240
H -1.063857 0.574537 -1.419425
H -3.268961 -0.429832 -1.871672
H -4.400049 -0.778953 -0.564041
H -2.918808 -1.718347 -0.708113
H -3.797561 -0.092830 1.902105
H -2.167111 0.508898 2.235467
H -2.405309 -1.161659 1.713477
H -2.869222 2.426438 0.618113
H -4.333156 1.648664 0.045770
H -3.078953 2.078404 -1.110938
H -0.825197 2.329981 0.386997
H 2.638444 -1.917985 -0.939328
H 1.321504 -2.747104 1.616193
H 2.873540 -1.858826 1.578891
H 2.745799 -3.498959 0.871302
H 3.494623 2.249995 1.506883
H 3.359652 2.949898 -0.115315
H 4.914565 2.247947 0.420198


%chk=000180614-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180614

0 1
S 3.461843 0.438925 -0.241876
O -0.917385 -2.168722 -0.037556
N -0.365507 1.237100 0.751495
N 1.058360 -0.906047 -0.048306
N 1.011533 1.450965 0.501089
N 1.844578 -2.078384 -0.073311
C -2.618519 0.302170 0.088425
C -1.076632 0.326330 -0.182939
C -3.308574 -0.514784 -1.038334
C -2.947410 -0.307220 1.476403
C -3.158326 1.762864 0.026769
C -0.359580 -1.046149 -0.071332
C 1.662907 0.383669 0.106749
C 2.349433 -2.557349 1.224471
C 3.754856 2.271265 0.064791
H -0.933434 0.674901 -1.240155
H -3.124510 -0.061319 -2.031942
H -4.401740 -0.529085 -0.871674
H -2.942514 -1.553476 -1.051277
H -4.029207 -0.207188 1.683466
H -2.391840 0.210886 2.279246
H -2.686454 -1.377660 1.507358
H -2.881988 2.359548 0.917536
H -4.262507 1.742251 -0.007470
H -2.804807 2.292291 -0.879361
H -0.830671 2.132026 0.917915
H 2.473666 -2.114601 -0.879988
H 1.495823 -2.826474 1.869185
H 2.992920 -1.823284 1.755528
H 2.935020 -3.474488 1.039490
H 3.490704 2.514162 1.103143
H 3.137882 2.862895 -0.625857
H 4.828081 2.431081 -0.121579


