%chk=000291467.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291467

0 1
S 3.007934 -0.975616 1.286789
S -3.557197 2.796242 -0.453621
S 0.728975 -1.897909 -2.678286
O 2.331809 -0.423634 2.439634
O 3.760765 -2.208168 1.391523
O -2.762144 3.437590 0.568921
O -4.354179 3.578669 -1.376025
N 1.833961 -1.348227 0.081668
N -2.512295 1.918373 -1.501313
C 0.749646 -0.526450 -0.295581
C 0.116887 -0.704129 -1.543883
C -1.408843 1.120436 -1.083748
C -0.271202 -3.954491 -1.090606
C -0.392809 -3.321859 -2.467455
C -0.951657 0.098812 -1.936510
C 0.271317 0.497087 0.556639
C 1.106749 -4.581459 -0.835173
C -0.774756 1.319018 0.161633
C 3.977719 0.248518 0.556124
C -4.532395 1.571254 0.271601
C 1.187069 -5.221624 0.547197
C 3.664049 1.599346 0.739880
C 5.085274 -0.115580 -0.218050
C -4.095448 0.912309 1.425249
C -5.770301 1.248016 -0.295352
C 4.451177 2.587084 0.140695
C 5.873776 0.870645 -0.816805
C -4.891551 -0.079011 2.007075
C -6.567672 0.258416 0.285696
C 5.553890 2.221564 -0.638995
C -6.126061 -0.405819 1.435910
H -1.054023 -4.735037 -0.980763
H -0.499077 -3.209189 -0.299868
H -0.113676 -4.033518 -3.270453
H -1.433173 -3.004139 -2.665273
H -1.425396 -0.061355 -2.905817
H 1.915152 -2.258771 -0.428954
H 0.703917 0.637103 1.555572
H 1.333173 -5.334309 -1.614849
H 1.902665 -3.807330 -0.929551
H -1.087369 2.137751 0.823952
H -2.606029 2.037650 -2.516996
H 0.995433 -4.493086 1.344929
H 2.186739 -5.634860 0.732798
H 0.466113 -6.037351 0.664181
H 2.807121 1.889384 1.358165
H 5.342035 -1.172752 -0.349609
H -3.134489 1.173108 1.882385
H -6.120932 1.776438 -1.189497
H 4.204534 3.638999 0.281355
H 6.735252 0.587691 -1.420176
H -4.550072 -0.593197 2.904979
H -7.531859 0.007390 -0.154190
H 6.167336 2.992066 -1.108579
H -6.747862 -1.178887 1.889928


%chk=000291467-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291467

0 1
S 3.298601 -0.838251 1.490262
S -3.750463 2.879592 0.159438
S 0.486350 -1.595287 -2.094080
O 3.076697 0.030911 2.840447
O 4.030177 -2.287467 1.478783
O -3.438050 3.094249 1.737699
O -4.678883 3.888832 -0.715156
N 1.532848 -1.266476 0.817217
N -1.957382 2.924392 -0.754585
C 0.693355 -0.216708 0.395224
C 0.091310 -0.234865 -0.907079
C -1.101598 1.856665 -0.395363
C -0.673219 -3.607144 -0.331794
C -0.907159 -2.842536 -1.644288
C -0.814962 0.772260 -1.276762
C 0.366648 0.846077 1.293426
C 0.523127 -4.585410 -0.367249
C -0.496776 1.875737 0.898595
C 4.141949 0.285760 0.215898
C -4.432872 1.118990 -0.045259
C 0.814900 -5.214795 1.011452
C 4.032682 1.675279 0.389247
C 4.839460 -0.329620 -0.836955
C -4.076179 0.153989 0.911857
C -5.264042 0.862785 -1.149060
C 4.662679 2.500524 -0.571434
C 5.465324 0.515631 -1.781852
C -4.580486 -1.156338 0.737216
C -5.763228 -0.451757 -1.300419
C 5.370932 1.922150 -1.651015
C -5.415963 -1.456371 -0.365091
H -1.598880 -4.179883 -0.108929
H -0.549718 -2.889958 0.503586
H -0.930493 -3.520894 -2.516484
H -1.838929 -2.252265 -1.621645
H -1.286463 0.728355 -2.266055
H 1.704688 -1.972491 0.071482
H 0.811725 0.840411 2.293435
H 0.319813 -5.381058 -1.113066
H 1.426862 -4.053295 -0.728885
H -0.729115 2.704427 1.573845
H -2.239097 2.919409 -1.754725
H 1.087854 -4.437539 1.748557
H 1.654075 -5.931076 0.954809
H -0.068600 -5.757460 1.398044
H 3.500261 2.091614 1.249938
H 4.912983 -1.420155 -0.898686
H -3.451245 0.422887 1.769383
H -5.535687 1.668027 -1.839945
H 4.601264 3.588839 -0.471121
H 6.025660 0.075996 -2.613277
H -4.327210 -1.933211 1.466134
H -6.425797 -0.685839 -2.140135
H 5.857661 2.568809 -2.388885
H -5.809387 -2.471249 -0.488197


