%chk=000252373.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252373

0 1
S 0.762995 2.146509 -0.634212
O -0.018992 1.448119 2.308428
O -4.829783 -0.219202 0.921386
O 5.677928 -0.608120 -0.042525
N -1.618111 3.441535 -1.504184
C -0.711864 -0.160577 -0.926299
C -1.548393 -1.268763 -0.242010
C 0.212403 0.545012 0.087085
C -2.430289 -0.696319 0.910090
C 1.531018 -0.214089 0.458151
C 0.085858 -0.666202 -2.137135
C -2.057242 0.740384 1.303912
C -2.524457 -1.959977 -1.225210
C -0.566374 0.958058 1.351434
C 2.174359 -0.893535 -0.751043
C 1.264075 -1.552954 -1.746041
C -3.879918 -0.691147 0.353652
C -3.916108 -1.366420 -0.998060
C 2.554935 0.758510 1.110092
C -2.411566 -1.618331 2.131531
C 1.209820 -1.336483 1.468312
C 3.897810 0.084979 1.387998
C 3.506066 -1.010494 -0.873550
C 4.481008 -0.513552 0.123914
C -0.677990 2.879020 -1.139019
H -1.460171 0.579494 -1.322465
H -0.842578 -2.034708 0.170720
H 0.454547 0.199534 -2.727907
H -0.589629 -1.220406 -2.824094
H -2.506388 0.991359 2.293847
H -2.520399 1.481742 0.615380
H -2.534255 -3.049783 -1.039331
H -2.201030 -1.838898 -2.276536
H 1.823001 -1.845943 -2.661354
H 0.902181 -2.511123 -1.311914
H -4.715377 -2.130435 -1.036963
H -4.188480 -0.628317 -1.778704
H 2.131053 1.169867 2.054390
H 2.769087 1.640920 0.470742
H -1.446676 -1.587836 2.650584
H -3.175243 -1.319240 2.866121
H -2.616761 -2.661292 1.864212
H 2.092244 -1.960873 1.659655
H 0.899629 -0.927702 2.439031
H 0.414148 -2.004790 1.106472
H 3.805423 -0.710006 2.156010
H 4.612997 0.814575 1.823609
H 3.969887 -1.502500 -1.731702


%chk=000252373-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252373

0 1
S 0.695519 2.246419 -0.600169
O -0.086405 1.145066 2.533016
O -4.972647 -0.366681 1.031519
O 5.830556 -0.372655 -0.217224
N -1.830240 3.110687 -1.823461
C -0.706556 -0.265128 -0.888148
C -1.641491 -1.346541 -0.243097
C 0.204679 0.429578 0.178274
C -2.519329 -0.739953 0.921051
C 1.602622 -0.258069 0.521573
C 0.123235 -0.741150 -2.102330
C -2.121963 0.740030 1.269506
C -2.683340 -1.937804 -1.257376
C -0.618357 0.826797 1.437958
C 2.242674 -0.883858 -0.733359
C 1.326711 -1.613667 -1.693452
C -3.968840 -0.681171 0.353073
C -3.954847 -1.072560 -1.122446
C 2.602436 0.753515 1.180798
C -2.503613 -1.608494 2.203646
C 1.362592 -1.434886 1.537963
C 4.026976 0.185136 1.345871
C 3.598883 -0.882059 -0.932543
C 4.586457 -0.343366 0.027561
C -0.816095 2.719525 -1.310614
H -1.398492 0.510528 -1.273905
H -1.027937 -2.173323 0.153602
H 0.494129 0.146468 -2.649395
H -0.518690 -1.295551 -2.808860
H -2.615276 1.055321 2.202747
H -2.449130 1.425699 0.463253
H -2.916840 -2.979416 -0.967675
H -2.305158 -1.971498 -2.291668
H 1.893669 -1.930989 -2.586346
H 0.956364 -2.542864 -1.209959
H -4.892853 -1.574760 -1.410371
H -3.882743 -0.146246 -1.729083
H 2.196383 1.083732 2.149641
H 2.694489 1.655068 0.545833
H -1.529259 -1.539560 2.718735
H -3.290894 -1.266970 2.898469
H -2.695355 -2.671319 1.966930
H 2.323182 -1.940818 1.731181
H 0.977533 -1.049992 2.495507
H 0.668090 -2.197621 1.152021
H 4.048187 -0.643267 2.082500
H 4.711796 0.958609 1.735996
H 4.023585 -1.350341 -1.830245


