%chk=000216518.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216518

0 1
S -1.859459 -5.724709 1.889775
S -3.929382 4.668000 -0.443317
O -1.483079 -2.131825 0.298990
O -2.277964 1.354052 0.858568
O 1.142231 2.449997 -0.384812
O 5.698825 1.781911 -0.748807
O -1.389061 -2.710122 2.483451
O -4.208753 1.542923 -0.310025
N 0.839031 -0.610532 -0.807514
N 4.378725 -0.093929 -0.938782
N 3.415691 2.117353 -0.554029
N 2.680814 -1.935180 -1.103725
C -0.552803 -0.176239 -0.639008
C -1.168808 -0.744821 0.648257
C 1.962132 0.233807 -0.743970
C 3.087938 -0.616813 -0.935172
C 2.056136 1.659525 -0.543950
C 1.311806 -1.900404 -1.014543
C -2.501119 -0.071023 1.011535
C 4.579567 1.306454 -0.744333
C 5.546144 -0.987360 -1.136139
C 3.665624 3.568522 -0.330319
C -1.562452 -3.055471 1.339118
C -3.214761 2.077153 0.123212
C -1.860481 -4.371113 0.810875
C -2.777029 3.452666 0.006950
C -2.173005 -4.768488 -0.467246
C -2.407081 -6.180478 -0.563703
C -1.531871 4.003245 0.183191
C -2.271277 -6.831758 0.633278
C -1.520416 5.422910 -0.043180
C -2.744790 5.926082 -0.384739
H -1.155594 -0.488408 -1.526186
H -0.589289 0.953357 -0.593847
H -0.456027 -0.738660 1.506433
H 0.668489 -2.772048 -1.090305
H -3.339590 -0.415654 0.372385
H -2.760395 -0.217538 2.077461
H 6.484316 -0.400383 -1.114489
H 5.468867 -1.505846 -2.108776
H 5.581511 -1.750685 -0.337960
H 3.872046 3.762021 0.736138
H 4.537176 3.906003 -0.920829
H 2.777347 4.153392 -0.631501
H -2.242639 -4.097476 -1.316444
H -0.636063 3.439458 0.449877
H -2.664519 -6.658423 -1.500655
H -2.392953 -7.887122 0.825543
H -0.614482 6.007773 0.053558
H -3.001075 6.951102 -0.601890


%chk=000216518-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216518

0 1
S -1.878066 -5.455620 2.330681
S -4.102411 5.002883 0.691800
O -1.480430 -2.195075 -0.060727
O -2.304979 1.403574 0.201852
O 1.092753 2.397691 -0.676610
O 5.748729 1.717126 -0.405475
O -1.427828 -2.356063 2.281938
O -4.560150 1.881926 0.606934
N 0.911394 -0.688284 -1.208406
N 4.416843 -0.167649 -0.833936
N 3.427489 2.018953 -0.540956
N 2.796537 -1.984556 -1.282546
C -0.510636 -0.296372 -1.222281
C -1.254301 -0.724133 0.050299
C 2.003085 0.165854 -0.964738
C 3.136598 -0.663631 -1.020008
C 2.072312 1.584631 -0.726031
C 1.441123 -1.956307 -1.386288
C -2.624101 -0.038940 0.180264
C 4.605498 1.211072 -0.583300
C 5.585285 -1.068685 -0.894639
C 3.665453 3.457610 -0.278020
C -1.558215 -2.907349 1.162523
C -3.385551 2.284007 0.420845
C -1.800610 -4.329207 0.920976
C -2.919542 3.669619 0.388198
C -2.007054 -5.003491 -0.282885
C -2.225104 -6.411817 -0.116455
C -1.637842 4.161791 0.136458
C -2.186446 -6.813486 1.214933
C -1.570792 5.595537 0.181523
C -2.792886 6.195680 0.466076
H -1.002210 -0.738309 -2.107045
H -0.551485 0.802626 -1.291019
H -0.653552 -0.517763 0.953627
H 0.817685 -2.824649 -1.581323
H -3.285304 -0.266756 -0.676395
H -3.129612 -0.333252 1.115685
H 6.483904 -0.460631 -0.717071
H 5.638864 -1.550456 -1.885029
H 5.496231 -1.853388 -0.125213
H 4.160081 3.585854 0.698472
H 4.322671 3.879086 -1.055745
H 2.687255 3.959283 -0.284275
H -2.008620 -4.488231 -1.245297
H -0.784527 3.511609 -0.075489
H -2.404932 -7.101601 -0.943781
H -2.317033 -7.813443 1.625875
H -0.653128 6.162283 0.009247
H -3.024243 7.255648 0.561179


