%chk=000198313.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198313

0 1
S 3.308608 -0.469259 -1.846848
P 3.582311 -0.064446 -0.013472
O -2.265239 1.139568 -0.037624
O 3.064725 1.508935 0.491323
O 5.139690 0.218719 0.453852
O 3.256853 -1.100366 1.207606
N -0.107293 0.152764 -0.032231
N 1.183229 0.317015 0.111595
C -4.985947 -1.101905 0.692644
C -4.326150 0.070762 -0.062944
C -2.862639 -0.178630 -0.429652
C -4.322471 -1.340319 2.053377
C -4.987928 -2.382763 -0.149325
C -2.604655 -0.393096 -1.906970
C -0.926629 1.247231 0.092127
C -0.432906 2.558861 0.388810
C 0.928546 2.721054 0.544208
C 1.708420 1.549737 0.389029
C 5.887763 1.137011 -0.380777
C 2.596237 -2.340442 0.826926
H -6.052780 -0.808487 0.876234
H -4.383876 0.990117 0.563414
H -4.917882 0.308472 -0.967609
H -2.383819 -0.956301 0.204020
H -3.276022 -1.651352 1.951320
H -4.839614 -2.125936 2.614992
H -4.332011 -0.434218 2.669056
H -5.546680 -3.182418 0.350121
H -5.452739 -2.219971 -1.127390
H -3.974983 -2.761353 -0.324748
H -3.205448 -1.222285 -2.299853
H -1.548267 -0.635408 -2.101926
H -2.841448 0.500893 -2.497561
H -1.138225 3.384664 0.481303
H 1.397146 3.677398 0.770805
H 5.454672 2.143959 -0.340690
H 6.874705 1.130722 0.106283
H 5.975836 0.767258 -1.411307
H 3.259890 -2.961213 0.213519
H 2.433827 -2.805579 1.810626
H 1.631093 -2.158596 0.330837


%chk=000198313-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198313

0 1
S 3.980048 -0.630425 -2.061919
P 3.957726 -0.165484 -0.057894
O -2.379704 1.264652 -0.202943
O 3.052905 1.336106 0.394364
O 5.423637 0.343175 0.675990
O 3.588457 -1.354248 1.114460
N -0.301759 0.121711 -0.159675
N 1.062553 0.170010 0.002322
C -5.093861 -1.103229 0.778911
C -4.511799 0.108934 -0.008489
C -3.054053 -0.065870 -0.487082
C -4.394960 -1.297973 2.146645
C -5.082153 -2.414537 -0.044389
C -2.901566 -0.377107 -1.981472
C -1.009361 1.286102 -0.071739
C -0.400115 2.556761 0.170977
C 0.984956 2.596184 0.322681
C 1.677827 1.355680 0.229647
C 6.205144 1.403845 0.000994
C 2.722325 -2.495017 0.716891
H -6.155616 -0.850112 0.983298
H -4.547705 1.001653 0.644161
H -5.160135 0.322869 -0.880962
H -2.512196 -0.819593 0.112340
H -3.327118 -1.561343 2.026050
H -4.873285 -2.115311 2.717517
H -4.447740 -0.377999 2.757980
H -5.591886 -3.225757 0.507480
H -5.598768 -2.287347 -1.014430
H -4.049222 -2.754376 -0.249691
H -3.441936 -1.309105 -2.225298
H -1.841343 -0.512503 -2.252721
H -3.332405 0.438303 -2.589719
H -1.022600 3.452556 0.229871
H 1.531980 3.522972 0.507713
H 5.677463 2.371155 0.066673
H 7.150672 1.442982 0.560922
H 6.395185 1.139844 -1.055790
H 3.177366 -3.046580 -0.124494
H 2.688321 -3.120452 1.620869
H 1.722624 -2.120328 0.443050


