%chk=000262328.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262328

0 1
S -5.807928 0.908381 -1.278728
S 5.809486 -0.323530 1.523882
O -4.886371 -0.072177 -0.227574
O 4.887658 -0.215359 0.090776
O -5.614948 0.390718 -2.599058
O -5.502472 2.272512 -0.952984
O 5.615078 -1.644479 2.039515
O 5.505727 0.841654 2.305159
O -11.616413 -0.009158 1.808810
O 11.619252 1.314902 -1.246580
O -11.726934 -1.617357 0.362468
O 11.727000 -0.838867 -1.446816
N -11.173606 -0.666152 0.884056
N 11.175064 0.190356 -1.101722
C -0.736873 -0.082125 -0.085299
C 0.738181 -0.114947 -0.011684
C -3.505648 -0.020269 -0.231599
C 3.506923 -0.182289 0.132050
C -1.472385 -1.277019 0.008709
C 1.472884 -0.856842 -0.953687
C -1.407275 1.141391 -0.248247
C 1.409380 0.594783 0.997662
C -7.361719 0.456821 -0.656637
C 7.363248 -0.174838 0.769618
C -2.863757 -1.257371 -0.066019
C 2.864268 -0.899323 -0.889048
C -2.800523 1.185455 -0.320844
C 2.802633 0.570445 1.078801
C -7.914232 1.176910 0.406529
C 7.917358 1.094055 0.577290
C -8.042811 -0.624299 -1.223883
C 8.042716 -1.325896 0.359921
C -9.837658 -0.271389 0.342880
C 9.839143 0.062290 -0.444173
C -9.165174 0.814394 0.916373
C 9.168288 1.221090 -0.035284
C -9.294366 -0.997537 -0.723866
C 9.294241 -1.213356 -0.253867
H -0.950320 -2.225058 0.144260
H 0.950203 -1.399979 -1.742046
H -0.835506 2.067734 -0.322137
H 0.838217 1.169156 1.728660
H -3.452688 -2.168914 0.006853
H 3.452571 -1.464438 -1.608493
H -3.317884 2.142598 -0.433803
H 3.320661 1.136349 1.858496
H -7.377213 2.029917 0.842240
H 7.381600 1.993538 0.908576
H -7.605917 -1.180422 -2.064144
H 7.604570 -2.319934 0.521477
H -9.616669 1.365334 1.750239
H 9.621020 2.206898 -0.196312
H -9.845584 -1.842530 -1.153730
H 9.844205 -2.103126 -0.583238


%chk=000262328-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262328

0 1
S -6.014284 0.152432 -1.591159
S 6.026906 -1.051717 1.202599
O -4.960619 -0.217989 0.158730
O 4.960603 0.026410 -0.215036
O -5.920733 -1.126971 -2.594253
O -5.685799 1.658054 -2.119444
O 5.914725 -2.651487 0.918960
O 5.730883 -0.440755 2.683359
O -11.962541 1.305241 1.516396
O 11.955016 1.998844 -0.186210
O -12.139053 -0.944663 1.179002
O 12.120876 0.193431 -1.571785
N -11.511589 0.177337 1.084960
N 11.501150 0.903733 -0.692648
C -0.739643 -0.138835 -0.024440
C 0.740452 -0.114975 -0.053639
C -3.593674 -0.183851 0.050557
C 3.594386 -0.051134 -0.123731
C -1.462738 -1.349721 -0.264543
C 1.477862 -1.052153 -0.843852
C -1.486897 1.051140 0.241836
C 1.473591 0.846421 0.710562
C -7.705561 0.156770 -0.767043
C 7.712411 -0.451180 0.620692
C -2.863002 -1.377696 -0.235544
C 2.878206 -1.031602 -0.876469
C -2.887591 1.038942 0.266579
C 2.874060 0.875906 0.690089
C -8.199289 1.383912 -0.293279
C 8.210186 0.742086 1.170505
C -8.391919 -1.064804 -0.663091
C 8.389517 -1.222695 -0.338564
C -10.170015 0.169846 0.433175
C 10.165836 0.426323 -0.230307
C -9.468782 1.390125 0.319593
C 9.473970 1.190085 0.734946
C -9.661075 -1.055772 -0.048773
C 9.653281 -0.772369 -0.772299
H -0.915954 -2.281649 -0.440201
H 0.942420 -1.778810 -1.463097
H -0.960675 2.000059 0.386794
H 0.936744 1.547425 1.357655
H -3.418542 -2.304506 -0.409190
H 3.444953 -1.741640 -1.486739
H -3.462051 1.952271 0.449363
H 3.437435 1.598267 1.288804
H -7.619008 2.302952 -0.418112
H 7.637787 1.289431 1.925168
H -7.956989 -1.985086 -1.064016
H 7.950802 -2.150501 -0.717633
H -9.916248 2.308941 0.706406
H 9.924198 2.107236 1.122516
H -10.252343 -1.967955 0.062604
H 10.237057 -1.324401 -1.512956


