%chk=000242766.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242766

0 1
S 2.205029 2.567552 0.362145
O 2.797237 -1.922792 -0.152199
O -0.222332 0.462957 -1.765468
N 1.536123 -0.091122 0.380036
N 0.248788 0.455614 0.488017
C 2.568286 0.852307 0.154902
C 1.687395 -1.493207 0.060129
C 0.442459 -2.316882 0.128163
C -1.876453 1.332589 -0.230284
C -0.568646 0.727310 -0.635639
C 3.886148 0.669096 -0.144008
C -0.364820 -2.447380 -1.008716
C 0.129614 -2.995699 1.312699
C -2.091110 2.700923 -0.434403
C -2.882710 0.519899 0.307624
C 4.615954 1.915885 -0.207441
C -1.497601 -3.264302 -0.954949
C -1.006217 -3.808913 1.357249
C 3.863113 3.018630 0.038898
C -1.817578 -3.943825 0.225121
C -3.325148 3.260234 -0.089285
C -4.113636 1.087127 0.647652
C -4.333596 2.455252 0.450933
H -0.039398 0.652029 1.451813
H 4.355776 -0.293981 -0.321575
H -0.114456 -1.904111 -1.926756
H 0.770767 -2.897049 2.188713
H -1.304005 3.322298 -0.865062
H -2.709051 -0.547675 0.450662
H 5.674797 1.927197 -0.437344
H -2.127641 -3.373058 -1.837495
H -1.254702 -4.343553 2.273002
H 4.161078 4.051244 0.049882
H -2.698570 -4.584091 0.261711
H -3.500867 4.324134 -0.245834
H -4.903255 0.462485 1.063481
H -5.295173 2.894378 0.716926


%chk=000242766-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242766

0 1
S 2.182898 2.584012 0.504365
O 2.818471 -1.996884 0.231651
O -0.179519 1.008497 -1.829793
N 1.468279 -0.094473 0.191396
N 0.185406 0.440541 0.406533
C 2.553346 0.831951 0.192328
C 1.654994 -1.508567 0.164635
C 0.433018 -2.380197 0.084803
C -1.912371 1.539062 -0.197355
C -0.585017 0.988135 -0.635332
C 3.912946 0.622030 0.002467
C -0.555246 -2.226164 -0.921524
C 0.361884 -3.482831 0.975564
C -2.469811 2.592459 -0.966424
C -2.632417 1.023209 0.913052
C 4.682707 1.839589 0.089157
C -1.616566 -3.152843 -1.012494
C -0.711995 -4.394546 0.893342
C 3.932660 2.971277 0.351864
C -1.706020 -4.230080 -0.100060
C -3.718626 3.143123 -0.613560
C -3.885967 1.572999 1.259605
C -4.427246 2.638149 0.503091
H -0.108695 0.538786 1.382233
H 4.337312 -0.363892 -0.175211
H -0.475832 -1.414394 -1.651790
H 1.157531 -3.621792 1.715281
H -1.911300 2.957595 -1.834371
H -2.251277 0.163492 1.477104
H 5.767370 1.863844 -0.041984
H -2.367967 -3.036761 -1.801024
H -0.766083 -5.236900 1.591539
H 4.247458 4.007239 0.459104
H -2.534206 -4.943895 -0.172123
H -4.141215 3.961349 -1.206313
H -4.444124 1.164062 2.108586
H -5.399181 3.064315 0.774955


