%chk=000218766.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218766

0 1
S -7.171579 -1.041246 -0.869498
S -7.830102 -0.562022 1.020089
O 1.421087 0.933128 -0.373425
O -8.137264 1.061477 0.748921
O -9.098908 -1.166053 1.251346
O -6.744592 -0.625193 1.938883
N -3.323185 0.260623 -0.601996
N 3.108806 -0.607158 0.144255
C -0.877464 0.535653 -0.464206
C -2.053450 -0.409733 -0.181643
C 0.448867 -0.159460 -0.180269
C -4.525406 -0.565484 -0.264921
C 5.439832 0.200893 0.123511
C 4.976393 1.518924 -0.243964
C 2.736589 0.634827 -0.196925
C 4.473338 -0.832173 0.307366
C -5.690126 -0.000646 -1.075595
C 3.628846 1.738430 -0.404373
C 6.815864 -0.122463 0.312411
C 5.951401 2.629379 -0.447039
C 4.893107 -2.152218 0.671787
C 7.200893 -1.394742 0.662148
C 6.227930 -2.418808 0.843230
H -0.908103 0.881748 -1.520051
H -0.951552 1.460594 0.143527
H -1.945869 -1.340824 -0.783878
H -2.053623 -0.714970 0.888033
H 0.690230 -0.965914 -0.893167
H 0.548052 -0.527050 0.855121
H -3.399163 1.176375 -0.142884
H -4.760371 -0.571020 0.827564
H -4.333191 -1.624899 -0.551177
H -5.451818 -0.005681 -2.163800
H -5.912726 1.054072 -0.816987
H 3.211088 2.702408 -0.679883
H 7.564535 0.657316 0.175100
H 6.666405 2.393136 -1.249792
H 5.465272 3.576068 -0.722912
H 6.532753 2.824601 0.466915
H 4.128106 -2.917799 0.804175
H 8.251182 -1.639375 0.805801
H 6.564186 -3.418063 1.120549
H -9.005370 1.403044 1.022252


%chk=000218766-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218766

0 1
S -7.136824 -1.021174 -1.116767
S -8.319514 -0.209946 0.905741
O 1.543643 1.050203 -0.334232
O -9.802625 0.500945 0.038690
O -8.859078 -1.345411 1.924124
O -7.431458 1.010100 1.509086
N -3.275965 0.190883 -0.281006
N 3.215108 -0.542278 0.162850
C -0.825600 0.606260 -0.300247
C -1.950989 -0.431931 -0.115860
C 0.552489 -0.027020 -0.096070
C -4.449567 -0.688753 -0.282295
C 5.600280 0.168835 0.064162
C 5.185285 1.507110 -0.317412
C 2.883724 0.702985 -0.188176
C 4.572181 -0.825276 0.294550
C -5.647079 0.080335 -0.874915
C 3.821114 1.760976 -0.439711
C 6.970047 -0.210978 0.222218
C 6.204552 2.596901 -0.575995
C 4.949311 -2.150559 0.672110
C 7.316356 -1.515537 0.593193
C 6.298385 -2.490993 0.819643
H -0.891651 1.042602 -1.312881
H -0.951070 1.435403 0.423953
H -1.854008 -1.229840 -0.878841
H -1.842879 -0.929587 0.879732
H 0.743218 -0.854177 -0.805929
H 0.688728 -0.423528 0.927621
H -3.399953 1.053179 0.264221
H -4.727814 -1.080157 0.724094
H -4.218763 -1.566929 -0.915487
H -5.402459 0.525111 -1.856697
H -5.963365 0.900511 -0.195660
H 3.440149 2.745483 -0.723642
H 7.758373 0.529811 0.050786
H 6.893742 2.316843 -1.394766
H 5.711152 3.542013 -0.855634
H 6.824914 2.788237 0.319764
H 4.149725 -2.878858 0.839251
H 8.369759 -1.791981 0.710853
H 6.577733 -3.509923 1.109926
H -10.548407 0.529813 0.710253


