%chk=000214340.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214340

0 1
S 1.689844 1.070212 -1.637365
S -4.872181 -1.943303 0.379269
O 2.311736 -2.199379 1.235166
O 5.875885 -1.193327 0.015355
O 4.858798 -0.024201 1.631185
O -1.845192 -2.246650 -0.724154
O -4.427808 -3.019326 -0.793027
O -6.249361 -1.646442 0.141955
O -4.358902 -2.399417 1.639963
N 2.927086 -1.156031 -0.856753
N -0.255292 -0.736386 -0.120561
N -3.951544 -0.571055 -0.044700
C 1.764972 -0.748416 -1.710517
C 3.188047 1.288763 -0.537328
C 3.923497 -0.083143 -0.672944
C 0.807087 -1.505202 -0.741051
C 2.064855 -1.721496 0.179270
C 2.680360 1.588489 0.853885
C 4.001723 2.419709 -1.127141
C 4.863796 -0.399431 0.486091
C -1.574167 -1.185175 -0.177250
C -2.639875 -0.330056 0.563313
C -2.322705 1.150040 0.562862
C -2.298231 1.846321 1.778964
C -2.080601 1.831679 -0.639570
C -2.024023 3.217313 1.791228
C -1.807030 3.201345 -0.620931
C -1.777782 3.895464 0.593621
H 1.804010 -1.113116 -2.752805
H 4.555203 -0.076388 -1.617504
H 0.412484 -2.468687 -1.161933
H 2.137971 0.750277 1.310361
H 2.019395 2.464726 0.880741
H 3.513754 1.801122 1.550162
H 4.285716 2.247282 -2.175191
H 4.930611 2.583065 -0.560190
H 3.457364 3.375810 -1.105398
H -0.018188 0.194433 0.235187
H -2.646009 -0.730119 1.629447
H 6.510242 -1.475937 0.733933
H -4.247535 0.103358 -0.752842
H -2.500767 1.326938 2.716528
H -2.099849 1.296544 -1.589087
H -2.008107 3.757710 2.737815
H -1.616839 3.728951 -1.555564
H -1.567680 4.964531 0.605427
H -3.444567 -3.170096 -0.903317


%chk=000214340-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214340

0 1
S 1.877727 1.518812 -1.385107
S -4.713576 -2.205355 0.842864
O 2.192486 -2.140183 1.043621
O 5.271031 -2.059886 -0.084688
O 5.821039 -0.073117 0.982833
O -1.876697 -2.217448 -0.814912
O -4.214158 -3.423596 -0.394516
O -6.310601 -2.138111 0.772496
O -3.910601 -2.416222 2.228124
N 2.891872 -0.962561 -0.982446
N -0.343707 -0.549793 -0.345970
N -4.044302 -0.647819 0.190438
C 1.796717 -0.357348 -1.776826
C 3.515721 1.320843 -0.299377
C 4.054852 -0.093529 -0.753868
C 0.767802 -1.232387 -0.969081
C 2.009987 -1.592510 -0.052117
C 3.123360 1.395688 1.188741
C 4.484187 2.447203 -0.699437
C 5.114885 -0.705301 0.169981
C -1.604259 -1.085877 -0.289829
C -2.663860 -0.280255 0.526034
C -2.524982 1.238842 0.429671
C -2.605838 2.031139 1.601464
C -2.379758 1.877637 -0.829974
C -2.534727 3.438889 1.518461
C -2.315208 3.285377 -0.913790
C -2.391015 4.069213 0.260574
H 1.843365 -0.494576 -2.865797
H 4.557942 0.043781 -1.733767
H 0.381251 -2.103700 -1.522860
H 2.477180 0.556260 1.496474
H 2.578965 2.335199 1.384259
H 4.031493 1.379049 1.816372
H 4.709943 2.427649 -1.779859
H 5.425791 2.332154 -0.131676
H 4.059831 3.436630 -0.456819
H -0.177056 0.399509 0.010980
H -2.519494 -0.597521 1.580145
H 5.961876 -2.441572 0.523235
H -4.421169 -0.415318 -0.737195
H -2.738311 1.544655 2.574856
H -2.315038 1.279139 -1.747816
H -2.597776 4.041844 2.430538
H -2.204672 3.769320 -1.890100
H -2.340986 5.161552 0.195993
H -3.251313 -3.135097 -0.635723


