%chk=000222149.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222149

0 1
S 2.343043 0.551352 2.051018
S -2.343126 -0.551460 2.050986
O 1.344559 -0.768383 -2.525370
O -1.344616 0.768498 -2.525360
N 1.458792 0.763910 -0.812896
N -1.458812 -0.763840 -0.812924
C 0.777095 1.663473 0.095136
C 2.889275 0.597163 -0.637696
C -0.777088 -1.663413 0.095079
C -2.889306 -0.597166 -0.637741
C 0.775329 -0.048291 -1.733765
C -0.775369 0.048424 -1.733750
C 1.095098 1.635743 1.463578
C 3.415757 0.506874 0.662314
C -1.095117 -1.635762 1.463516
C -3.415816 -0.506963 0.662264
C -0.173108 2.579165 -0.382513
C 3.744624 0.520656 -1.747529
C 0.173173 -2.579030 -0.382597
C -3.744637 -0.520646 -1.747587
C 0.435181 2.468587 2.365575
C 4.785665 0.352153 0.865521
C -0.435172 -2.468614 2.365486
C -4.785735 -0.352314 0.865452
C -0.839307 3.405614 0.526596
C 5.116216 0.351865 -1.538367
C 0.839398 -3.405489 0.526485
C -5.116241 -0.351927 -1.538443
C -0.547569 3.345625 1.893659
C 5.636565 0.268537 -0.242346
C 0.547630 -3.345580 1.893545
C -5.636617 -0.268684 -0.242427
H -0.399387 2.649185 -1.450341
H 3.338101 0.567144 -2.760656
H 0.399476 -2.648984 -1.450424
H -3.338092 -0.567067 -2.760708
H 0.679731 2.440152 3.428634
H 5.194197 0.295217 1.875545
H -0.679742 -2.440242 3.428541
H -5.194288 -0.295445 1.875471
H -1.593183 4.104083 0.160744
H 5.784098 0.284381 -2.397791
H 1.593316 -4.103901 0.160613
H -5.784110 -0.284432 -2.397875
H -1.080624 3.988504 2.592981
H 6.707718 0.140220 -0.093240
H 1.080706 -3.988465 2.592847
H -6.707779 -0.140423 -0.093335


%chk=000222149-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222149

0 1
S 2.479229 0.350787 2.079454
S -2.479135 -0.350732 2.079397
O 1.318380 -0.812818 -2.525282
O -1.318272 0.812788 -2.525325
N 1.481367 0.740879 -0.765799
N -1.481329 -0.740905 -0.765849
C 0.836067 1.630031 0.180903
C 2.926138 0.627466 -0.691198
C -0.836073 -1.630094 0.180846
C -2.926094 -0.627423 -0.691242
C 0.769075 -0.061156 -1.669685
C -0.769000 0.061114 -1.669717
C 1.204586 1.559230 1.548231
C 3.532386 0.456713 0.577283
C -1.204581 -1.559269 1.548175
C -3.532320 -0.456624 0.577243
C -0.100441 2.603396 -0.241886
C 3.730370 0.694990 -1.851784
C 0.100368 -2.603519 -0.241952
C -3.730341 -0.694917 -1.851820
C 0.597965 2.408564 2.496320
C 4.934259 0.340345 0.689576
C -0.598022 -2.408653 2.496257
C -4.934186 -0.340182 0.689550
C -0.723249 3.437208 0.711241
C 5.130503 0.559152 -1.741644
C 0.723110 -3.437389 0.711168
C -5.130466 -0.559006 -1.741666
C -0.383672 3.334851 2.079430
C 5.733128 0.379223 -0.474770
C 0.383538 -3.335018 2.079358
C -5.733069 -0.379032 -0.474787
H -0.346600 2.693113 -1.303644
H 3.255803 0.826359 -2.826690
H 0.346520 -2.693247 -1.303712
H -3.255790 -0.826319 -2.826729
H 0.897836 2.350010 3.547620
H 5.393153 0.225926 1.676999
H -0.897886 -2.350083 3.547559
H -5.393063 -0.225726 1.676977
H -1.463953 4.171940 0.379743
H 5.749037 0.597161 -2.644216
H 1.463758 -4.172175 0.379664
H -5.749012 -0.596993 -2.644231
H -0.863367 3.985658 2.817870
H 6.820478 0.280877 -0.389558
H 0.863183 -3.985869 2.817792
H -6.820412 -0.280629 -0.389565


