%chk=000263095.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263095

0 1
S 2.937441 0.482807 -2.247962
S -3.093347 -2.146178 0.093264
S 0.612587 -1.427762 -2.746139
S -0.593304 -2.592001 -1.592230
O 4.965569 2.142017 -1.574758
O -5.376095 0.933289 0.995710
O 5.072114 1.949835 0.690106
O -5.547952 -1.248192 1.581153
N 1.692266 -0.784456 -0.355559
N -1.912545 -0.261727 -1.235802
C 2.689212 -0.005906 0.272526
C -3.015803 0.338095 -0.587655
C 3.451307 0.733558 -0.615610
C -3.764213 -0.547249 0.168830
C 1.703233 -0.630811 -1.667682
C -1.828132 -1.552998 -0.971513
C 2.827663 -0.046189 1.739900
C -3.240566 1.784152 -0.775762
C 4.553718 1.634414 -0.356865
C -4.957222 -0.381184 0.973659
C 6.101122 3.064596 -1.584700
C -6.596683 1.237253 1.746937
C 7.393120 2.292200 -1.422198
C -7.810846 0.842142 0.933829
H 3.027023 -1.069968 2.099846
H 1.900890 0.281164 2.241700
H 3.650598 0.602938 2.094807
H -4.235336 2.099640 -0.410912
H -3.153868 2.076983 -1.835452
H -2.486615 2.375257 -0.227366
H 5.986625 3.521409 -2.584792
H 5.949629 3.814750 -0.788246
H -6.548962 0.718113 2.721247
H -6.490297 2.329649 1.875451
H 8.267826 2.933142 -1.582590
H 7.476974 1.866136 -0.410680
H 7.455189 1.455893 -2.130574
H -8.738395 1.196786 1.398349
H -7.767373 1.249349 -0.084245
H -7.886752 -0.252546 0.841479


%chk=000263095-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000263095

0 1
S 3.359343 1.129396 -2.639648
S -1.802932 -0.604269 -0.376203
S 0.443683 1.010163 -3.792007
S -0.536622 -1.056377 -3.201324
O 5.855260 1.495621 -1.200295
O -5.431480 0.669917 0.869052
O 5.054939 1.981254 0.944610
O -3.562890 -0.062821 2.075287
N 1.171443 1.564752 -1.165505
N -3.081365 -0.071380 -2.661055
C 2.251488 1.726826 -0.294462
C -3.984192 0.239050 -1.644410
C 3.515710 1.558619 -0.894011
C -3.492434 0.008631 -0.341201
C 1.545819 1.257977 -2.403806
C -1.915658 -0.520780 -2.199603
C 1.965870 2.066574 1.141141
C -5.342131 0.761157 -2.028443
C 4.838722 1.704542 -0.264008
C -4.125151 0.183922 0.976730
C 7.260726 1.588042 -0.693401
C -6.163634 0.864088 2.163444
C 7.717287 0.246030 -0.115470
C -6.805466 -0.445669 2.627666
H 1.332061 1.279245 1.588366
H 1.390151 3.008265 1.194138
H 2.892888 2.168940 1.721310
H -5.522067 1.759777 -1.594877
H -6.145124 0.107946 -1.646295
H -5.403047 0.819106 -3.125815
H 7.835741 1.873105 -1.588491
H 7.306201 2.390636 0.063430
H -5.450775 1.251226 2.912137
H -6.914301 1.631496 1.916256
H 8.784617 0.308969 0.166882
H 7.138318 -0.012036 0.786974
H 7.604251 -0.561994 -0.858407
H -7.412624 -0.258878 3.532838
H -7.468013 -0.859894 1.848240
H -6.034810 -1.192776 2.879739


