%chk=000220178.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220178

0 1
S -2.191356 4.161996 0.464948
S -1.112668 3.315865 -1.073792
O -3.337232 2.806571 -1.662543
O 0.211963 0.682334 -1.734430
O -5.628211 0.106759 1.561278
O 2.617837 1.465210 2.271029
O -5.271280 3.745574 -1.019026
O -1.066967 0.382347 0.084372
O -2.277484 -5.947272 -0.594020
O 9.286496 0.181053 0.311478
O -4.376274 -6.334735 -0.950469
O 8.485432 -1.600266 -0.622816
N -3.946077 0.811494 0.186859
N 2.210791 1.492863 0.025787
N -3.449933 -5.611084 -0.628195
N 8.366725 -0.536381 -0.040544
C -4.122311 2.228237 0.551631
C 0.828502 1.972938 0.190900
C -2.925148 2.770921 1.339697
C 0.598337 3.326739 -0.479062
C -4.715892 -0.179744 0.808260
C 3.028304 1.269326 1.145021
C -4.348931 3.028491 -0.739147
C -0.137359 0.953897 -0.440917
C -4.356568 -1.587335 0.421282
C 4.412938 0.793536 0.808379
C -3.032893 -2.039988 0.498155
C 5.504056 1.578104 1.204626
C -5.389579 -2.446066 0.019856
C 4.602701 -0.428202 0.149582
C -3.769516 -4.209708 -0.254994
C 6.985589 -0.073629 0.260501
C -2.733633 -3.360807 0.160533
C 6.802671 1.145387 0.928190
C -5.098213 -3.767122 -0.324635
C 5.898207 -0.869634 -0.126751
H -5.070489 2.329320 1.172900
H 0.590694 2.030831 1.300294
H -2.179948 1.970580 1.551312
H -3.243079 3.144474 2.338405
H 1.248236 3.481027 -1.366550
H 0.820393 4.167299 0.205392
H -3.105228 0.587481 -0.359070
H 2.540696 1.360548 -0.929264
H -2.230541 -1.366498 0.823870
H 5.341340 2.517722 1.739653
H -6.421389 -2.082543 -0.010443
H 3.747050 -1.043237 -0.136437
H -1.706692 -3.738240 0.217974
H 7.672603 1.742006 1.228964
H -5.890161 -4.455535 -0.641685
H 6.072865 -1.824411 -0.637557
H -3.519103 3.276306 -2.529520
H -0.406072 0.041200 -2.183459


%chk=000220178-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220178

0 1
S -1.641080 3.869219 -1.187564
S -1.530572 1.946739 -2.423081
O -5.114661 2.920859 0.329741
O 1.469180 -1.726049 -2.586662
O -3.810086 0.383589 2.573842
O 1.462757 1.770340 0.684062
O -4.057193 4.687342 1.405968
O -0.794139 -1.240819 -2.800314
O -3.833203 -5.284884 -2.150038
O 8.058587 1.737348 3.081933
O -4.931867 -5.919876 -0.255030
O 8.462903 -0.198996 1.944241
N -3.020255 1.239895 0.567214
N 2.007612 0.266960 -0.986042
N -4.306605 -5.047043 -0.971878
N 7.703558 0.786345 2.286956
C -2.829136 2.569646 1.136198
C 0.629746 0.274991 -1.487650
C -1.557330 3.266238 0.615310
C 0.326311 1.567549 -2.309902
C -3.534551 0.214319 1.343013
C 2.328918 1.014634 0.131762
C -4.039696 3.512699 0.981710
C 0.327288 -0.956529 -2.335853
C -3.728736 -1.125186 0.672522
C 3.736235 0.907325 0.655996
C -3.272452 -1.425855 -0.638181
C 4.172852 1.922407 1.545963
C -4.384849 -2.130181 1.430803
C 4.613235 -0.159656 0.323661
C -4.115460 -3.687204 -0.405317
C 6.325449 0.828669 1.724880
C -3.458843 -2.710249 -1.183914
C 5.471860 1.893926 2.084272
C -4.587690 -3.415453 0.898344
C 5.915131 -0.205474 0.856997
H -2.718345 2.428327 2.231571
H -0.054587 0.271949 -0.616753
H -0.660935 2.637977 0.738731
H -1.415412 4.218405 1.158202
H 0.713611 1.502078 -3.340152
H 0.777784 2.428257 -1.794944
H -2.884034 1.134773 -0.442406
H 2.686164 -0.328137 -1.463859
H -2.752214 -0.687805 -1.257390
H 3.470782 2.720329 1.805221
H -4.718157 -1.873136 2.440809
H 4.287132 -0.982641 -0.322135
H -3.100490 -2.957263 -2.185893
H 5.831856 2.667267 2.767463
H -5.092267 -4.202667 1.464159
H 6.607862 -1.017837 0.623578
H -5.868729 3.569686 0.279964
H 1.240957 -2.511149 -3.154324


