%chk=000254221.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254221

0 1
S 2.354672 -0.692025 -1.737370
N -5.438804 0.953698 -0.585389
C 0.730109 0.197555 0.756396
C -0.469656 0.759121 -0.047709
C -1.815448 0.262968 0.492570
C 0.886676 -1.286554 0.510678
C 1.968866 0.991669 0.401264
C -2.983456 0.896083 -0.273153
C 1.576804 -1.783381 -0.601170
C 2.751900 0.681451 -0.716354
C -4.334728 0.390841 0.262287
C 0.303788 -2.206449 1.398389
C 2.332795 2.099270 1.184806
C 1.676215 -3.153287 -0.855093
C 3.865154 1.447131 -1.070722
C 0.393973 -3.578850 1.154555
C 3.441911 2.874892 0.839372
C 1.072207 -4.054000 0.025850
C 4.205319 2.554523 -0.289608
C -5.708004 2.381717 -0.240901
C -6.684237 0.144260 -0.423502
H 0.519223 0.351239 1.848995
H -0.365348 0.483298 -1.116725
H -0.435862 1.866112 -0.021131
H -1.901735 0.492758 1.571430
H -1.866129 -0.841540 0.409521
H -2.909219 0.662846 -1.355233
H -2.934450 1.999683 -0.206418
H -4.441663 0.639213 1.338842
H -4.363697 -0.718470 0.188759
H -0.225856 -1.849187 2.279938
H 1.745041 2.359622 2.063553
H 2.220550 -3.520969 -1.725569
H 4.466607 1.186480 -1.942212
H -0.065435 -4.283038 1.846519
H 3.714022 3.733477 1.451449
H 1.136074 -5.124092 -0.162068
H 5.067202 3.163553 -0.555953
H -6.061630 2.553104 0.785828
H -6.461265 2.780182 -0.939100
H -4.786712 2.967581 -0.391711
H -6.488786 -0.883921 -0.768196
H -7.467050 0.557193 -1.079941
H -7.081538 0.100344 0.600427


%chk=000254221-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254221

0 1
S 2.209441 -0.625306 -1.872316
N -5.519379 0.907315 -0.611771
C 0.756356 0.227037 0.804925
C -0.464510 0.824712 0.018005
C -1.831559 0.256500 0.454090
C 0.898726 -1.273243 0.560400
C 2.023696 0.999886 0.446451
C -3.008253 0.934509 -0.284675
C 1.490557 -1.772966 -0.627528
C 2.732131 0.738431 -0.753125
C -4.373287 0.374380 0.164633
C 0.401766 -2.213521 1.497711
C 2.489693 2.049957 1.276368
C 1.554875 -3.160273 -0.892058
C 3.853588 1.512005 -1.129927
C 0.453394 -3.602060 1.246154
C 3.603229 2.837255 0.910592
C 1.022642 -4.076200 0.041376
C 4.282425 2.571774 -0.301404
C -5.760402 2.346183 -0.383411
C -6.745799 0.112624 -0.395949
H 0.549725 0.381199 1.882639
H -0.315859 0.657345 -1.066207
H -0.455588 1.922042 0.175332
H -1.954903 0.394600 1.550203
H -1.860630 -0.835494 0.269699
H -2.910679 0.780268 -1.376860
H -2.960705 2.027624 -0.108618
H -4.502123 0.557499 1.266621
H -4.362255 -0.724614 0.024536
H -0.041967 -1.843508 2.430025
H 1.959476 2.255230 2.214616
H 2.031257 -3.520321 -1.810267
H 4.393051 1.279645 -2.054412
H 0.054600 -4.308133 1.982520
H 3.940591 3.648652 1.564500
H 1.070314 -5.151111 -0.164238
H 5.149675 3.173604 -0.594140
H -6.001873 2.586759 0.685197
H -6.608357 2.679975 -1.008012
H -4.876291 2.937025 -0.676004
H -6.555996 -0.943892 -0.657173
H -7.551941 0.487054 -1.052575
H -7.120454 0.145656 0.660278


