%chk=000200543.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200543

0 1
S -2.155432 1.690304 -1.205737
O 5.255726 0.052413 0.229576
O -1.422662 -0.891767 -1.426477
N 2.460148 -0.422648 -0.140818
C -1.376372 -0.670493 0.001049
C 0.101366 -0.878671 0.390355
C 1.050877 -0.042323 -0.484514
C 2.962670 0.366612 1.031968
C 3.370902 -0.217428 -1.315338
C -2.280528 -1.695083 0.727649
C -1.829061 0.739446 0.218573
C 4.385181 -0.107290 1.368741
C 4.785188 -0.674658 -0.924484
C -2.042106 1.470128 1.346120
C -3.730151 -1.532105 0.379890
C -2.483861 2.819128 1.065069
C -2.598397 3.087562 -0.263930
C -4.430359 -2.440072 -0.296515
H 0.370198 -1.950198 0.274278
H 0.243584 -0.638570 1.459881
H 0.844560 1.041509 -0.359829
H 0.843721 -0.280150 -1.554563
H 2.288132 0.180798 1.893760
H 2.965998 1.462644 0.846714
H 3.398774 0.837250 -1.663721
H 2.996343 -0.836452 -2.158808
H -1.923623 -2.718566 0.484635
H -2.152659 -1.592258 1.825334
H 4.870093 0.529305 2.128525
H 4.399900 -1.165256 1.684608
H 4.818061 -1.756105 -0.703423
H 5.535671 -0.414149 -1.690478
H -2.312012 -1.194026 -1.712510
H -1.908358 1.115093 2.357315
H -4.178632 -0.596638 0.725035
H -2.694769 3.520199 1.861026
H -2.906065 4.002719 -0.738045
H -5.477233 -2.317908 -0.537389
H -4.025208 -3.375598 -0.654326


%chk=000200543-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200543

0 1
S -2.056859 1.808747 -1.340021
O 5.301089 0.109407 0.290766
O -1.517231 -1.085402 -1.443288
N 2.480291 -0.425554 -0.203859
C -1.406723 -0.680298 -0.027344
C 0.082553 -0.889257 0.353961
C 1.067794 -0.109606 -0.538806
C 2.938171 0.215012 1.056373
C 3.410140 -0.077022 -1.310112
C -2.312122 -1.621817 0.843870
C -1.839752 0.774320 0.129931
C 4.373928 -0.227710 1.383535
C 4.838082 -0.522949 -0.957176
C -2.081727 1.506168 1.284039
C -3.766473 -1.571122 0.426734
C -2.442068 2.884433 1.043609
C -2.479961 3.211713 -0.301476
C -4.409504 -2.570096 -0.233602
H 0.315180 -1.966381 0.264237
H 0.201615 -0.602689 1.416671
H 0.864787 0.987273 -0.469025
H 0.886280 -0.410091 -1.585735
H 2.272808 -0.083361 1.887536
H 2.907392 1.332210 0.977372
H 3.413513 1.023759 -1.515849
H 3.080175 -0.594807 -2.230533
H -1.920468 -2.649892 0.733626
H -2.207152 -1.330779 1.906800
H 4.761376 0.300548 2.270729
H 4.390479 -1.324750 1.562675
H 4.863718 -1.628740 -0.846812
H 5.557969 -0.208904 -1.731208
H -2.477092 -1.270637 -1.632194
H -2.005476 1.076698 2.287178
H -4.305465 -0.639541 0.651380
H -2.666498 3.598234 1.840351
H -2.723463 4.163591 -0.770405
H -5.459707 -2.476285 -0.532556
H -3.909994 -3.517723 -0.472177


