%chk=000218169.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218169

0 1
S 2.081762 -0.438903 -1.014721
S 1.947684 -1.892098 0.455252
O -1.950835 -2.434694 0.412511
O 0.845293 -2.866325 -0.290046
O 3.167266 -2.605376 0.570179
O 1.283194 -1.318443 1.595359
N 0.873136 2.763003 -0.623493
N 0.728734 1.538116 1.488663
C -1.571718 2.986762 -1.125613
C -1.822105 1.561079 -0.728162
C -0.334846 3.577151 -0.409688
C -1.358494 0.522134 -1.562423
C -2.450638 1.247140 0.481403
C -1.458681 -0.803301 -1.162739
C -2.547084 -0.081956 0.916331
C -2.018722 -1.082543 0.099924
C 1.261869 1.839435 0.206792
C 2.528063 1.094629 -0.145814
C -2.333402 -2.834002 1.752061
H -1.418687 3.059994 -2.223801
H -2.454299 3.620006 -0.907427
H -0.102526 4.574755 -0.856350
H -0.567409 3.762915 0.660737
H -0.893855 0.765516 -2.520360
H -2.860365 2.040791 1.105742
H -1.104683 -1.617160 -1.794944
H -3.020006 -0.309198 1.865855
H 3.142603 1.688918 -0.869128
H 3.179111 0.926437 0.733582
H -0.257572 1.733522 1.616987
H 0.968607 0.631518 1.897707
H -2.158667 -3.917635 1.726725
H -3.392026 -2.616573 1.921317
H -1.690893 -2.343694 2.491153
H -0.101509 -2.820018 0.043730


%chk=000218169-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218169

0 1
S 2.291791 -0.437533 -1.281254
S 2.047513 -2.099562 0.597084
O -1.739102 -2.399670 0.487533
O 0.741423 -3.199087 0.024369
O 3.338412 -3.037993 0.780740
O 1.507867 -1.256068 1.894296
N 0.858608 2.861496 -0.696203
N 0.672818 1.382946 1.232576
C -1.641655 3.105165 -1.089582
C -1.922020 1.651039 -0.764146
C -0.357906 3.621264 -0.339555
C -1.346242 0.631678 -1.566508
C -2.601355 1.266029 0.420788
C -1.355379 -0.712446 -1.155757
C -2.613889 -0.080241 0.860471
C -1.938723 -1.048948 0.085511
C 1.263871 1.867782 0.078302
C 2.548869 1.164729 -0.304419
C -2.346631 -2.857611 1.747614
H -1.475136 3.232201 -2.174265
H -2.482841 3.762300 -0.796346
H -0.193266 4.668501 -0.654284
H -0.576276 3.640819 0.754511
H -0.831794 0.904278 -2.493431
H -3.102704 2.028828 1.030119
H -0.874345 -1.488120 -1.758211
H -3.116144 -0.344220 1.795985
H 3.122417 1.804339 -0.998189
H 3.177790 0.935472 0.573515
H -0.267678 1.682187 1.486681
H 1.015977 0.503051 1.650843
H -2.066336 -3.917133 1.834588
H -3.445020 -2.760096 1.695724
H -1.945715 -2.289086 2.606891
H -0.208900 -2.834385 0.241310


