%chk=000212735.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212735

0 1
S -2.111314 -3.647240 -0.320106
O 4.547369 -0.879445 -0.414625
O -5.421074 -2.095017 0.842324
O 3.817416 1.876355 0.061488
O -4.935934 3.950247 -0.384393
N 0.899171 -1.271802 -0.544304
N -3.317495 -1.373436 0.221562
C -1.932236 -1.806443 -0.098905
C -0.965161 -1.563652 1.062930
C -1.420707 -1.223245 -1.414468
C 0.467161 -1.982925 0.704503
C 0.025463 -1.652701 -1.702904
C 2.339768 -1.538951 -0.844667
C -3.712651 -3.761245 0.504704
C -4.274761 -2.362819 0.555098
C 3.170844 -0.479120 -0.101173
C -3.698421 0.018153 0.099689
C 2.914987 0.945933 -0.598991
C -4.905249 0.348415 -0.561007
C -2.888505 1.028532 0.633843
C 5.490411 0.099841 -0.152116
C 5.136625 1.451913 0.063551
C -5.280710 1.675643 -0.694064
C -3.251222 2.372182 0.497193
C -4.443170 2.683242 -0.164526
C 6.829397 -0.297101 -0.129997
C 6.118383 2.409901 0.325640
C 7.808592 0.669844 0.124451
C 7.457309 2.003914 0.357114
C -4.185819 5.068670 0.147490
H -1.294799 -2.091112 1.979451
H -0.975790 -0.476863 1.324971
H -1.467727 -0.111063 -1.368010
H -2.076610 -1.509074 -2.262073
H 1.151476 -1.683615 1.529155
H 0.536869 -3.090661 0.619886
H 0.069421 -2.738086 -1.942783
H 0.389400 -1.110309 -2.604233
H 2.689889 -2.553477 -0.550530
H 2.541468 -1.463597 -1.936284
H -3.618084 -4.191615 1.521996
H -4.391363 -4.436184 -0.057651
H 3.069009 -0.544810 1.003793
H 3.058449 1.048789 -1.687800
H 1.917527 1.322627 -0.303746
H -5.552373 -0.444586 -0.944553
H -1.961517 0.775917 1.160504
H -6.207833 1.958238 -1.190832
H -2.611082 3.144897 0.910470
H 7.088857 -1.338550 -0.305607
H 5.832215 3.445093 0.497969
H 8.856499 0.374698 0.144616
H 8.233052 2.740164 0.561377
H -4.125528 5.003101 1.237601
H -4.807439 5.920138 -0.160327
H -3.196651 5.118496 -0.315994


%chk=000212735-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212735

0 1
S -2.063138 -3.761910 0.104561
O 4.630067 -0.962614 -0.483277
O -5.493453 -1.897085 0.956292
O 3.921089 1.874900 -0.359944
O -4.688409 4.119313 -0.477207
N 0.909158 -1.342694 -0.648834
N -3.331720 -1.349667 0.201410
C -1.942805 -1.826272 -0.047354
C -0.950027 -1.288612 1.010114
C -1.437921 -1.478164 -1.464963
C 0.491765 -1.747433 0.719137
C 0.016225 -1.944914 -1.671667
C 2.345221 -1.599441 -0.912045
C -3.824230 -3.676583 0.755641
C -4.315564 -2.231584 0.655013
C 3.229434 -0.496408 -0.310581
C -3.652704 0.057839 0.053656
C 3.055006 0.860949 -1.000272
C -4.085736 0.561528 -1.198667
C -3.585084 0.924815 1.165230
C 5.595587 0.045399 -0.246070
C 5.248419 1.423506 -0.169847
C -4.419911 1.918156 -1.341479
C -3.919051 2.290459 1.036373
C -4.333490 2.788942 -0.224584
C 6.937444 -0.352850 -0.078177
C 6.241558 2.385435 0.104933
C 7.932132 0.614025 0.183753
C 7.582296 1.982875 0.286180
C -4.652650 5.059262 0.647311
H -1.258075 -1.629014 2.015133
H -0.981737 -0.181934 0.986483
H -1.473755 -0.379324 -1.591297
H -2.096127 -1.943356 -2.219892
H 1.171902 -1.287699 1.458242
H 0.561059 -2.857353 0.850070
H 0.053528 -3.064190 -1.648249
H 0.360464 -1.625400 -2.672137
H 2.692189 -2.581925 -0.512655
H 2.511136 -1.620666 -2.005450
H -3.867043 -4.005975 1.806213
H -4.476572 -4.322189 0.147461
H 3.042298 -0.373915 0.775498
H 3.319391 0.779511 -2.073962
H 2.022940 1.224148 -0.888882
H -4.175644 -0.119428 -2.051223
H -3.288328 0.526253 2.141206
H -4.759864 2.324728 -2.298389
H -3.863277 2.941664 1.913214
H 7.177949 -1.418586 -0.146947
H 5.945185 3.437642 0.161949
H 8.972469 0.298568 0.314010
H 8.349724 2.734499 0.498066
H -5.351854 4.752261 1.448865
H -4.972221 6.022787 0.224784
H -3.629444 5.153922 1.059950


