%chk=000253388.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253388

0 1
S 3.039004 -0.456633 1.466031
S -3.039314 -0.473483 -1.460420
S 4.867598 -0.811387 0.503793
S -4.868015 -0.815956 -0.493946
O 3.162454 0.858845 2.035481
O 2.749626 -1.592062 2.287634
O -3.162345 0.835033 -2.045778
O -2.750309 -1.618884 -2.268198
O 9.332402 1.024433 0.037891
O -9.332245 1.026701 -0.050469
N 7.423437 0.242957 -0.931948
N -7.423550 0.256496 0.928875
C 0.493730 -0.409443 0.591576
C -0.494020 -0.416594 -0.586606
C 1.940869 -0.423972 0.095652
C -1.941160 -0.424562 -0.090541
C 5.939405 0.566519 1.046319
C -5.939385 0.555610 -1.053142
C 6.565515 1.193640 -0.193703
C -6.565320 1.197898 0.179183
C 8.805944 0.205250 -0.694916
C -8.806058 0.216315 0.692246
C 9.548021 -0.869811 -1.436151
C -9.548480 -0.849466 1.446424
H 0.311080 0.487159 1.222419
H 0.304106 -1.292600 1.242173
H -0.311099 0.472067 -1.228508
H -0.304669 -1.307799 -1.226214
H 2.126626 0.457908 -0.556489
H 2.095517 -1.293145 -0.581926
H -2.096114 -1.285377 0.597555
H -2.126598 0.465248 0.550831
H 6.708839 0.154075 1.731803
H 5.359792 1.317294 1.629563
H -6.708938 0.135135 -1.733596
H -5.359530 1.299086 -1.645425
H 5.787826 1.588703 -0.886194
H 7.191347 2.072216 0.122594
H -5.787519 1.601076 0.866854
H -7.190874 2.072773 -0.147744
H 6.951654 -0.490815 -1.449526
H -6.952002 -0.471104 1.455305
H 9.407472 -0.806589 -2.523019
H 10.630688 -0.774456 -1.246208
H 9.254667 -1.877300 -1.113490
H -9.407948 -0.773124 2.532452
H -10.631112 -0.756097 1.255300
H -9.255415 -1.860878 1.136004


%chk=000253388-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253388

0 1
S 3.031676 -1.275737 1.859309
S -3.022678 -1.359814 -1.785281
S 5.313529 -1.555280 0.940074
S -5.307210 -1.604773 -0.863250
O 2.990395 0.245226 2.471620
O 2.560491 -2.533597 2.777074
O -2.982968 0.134361 -2.460641
O -2.545175 -2.653916 -2.647732
O 8.622584 2.114901 0.010196
O -8.640560 2.051152 -0.160464
N 6.863922 0.771592 -0.703933
N -6.865522 0.798538 0.666586
C 0.448555 -1.279635 0.675343
C -0.441926 -1.304798 -0.599400
C 1.923394 -1.280445 0.268975
C -1.917150 -1.294773 -0.194388
C 5.897884 0.141336 1.527901
C -5.893450 0.060885 -1.530600
C 5.973073 1.173730 0.391687
C -5.969756 1.145669 -0.444214
C 8.157445 1.272383 -0.815922
C -8.170495 1.277446 0.727874
C 8.969153 0.745716 -1.995191
C -8.987685 0.815808 1.930563
H 0.227206 -0.377499 1.276224
H 0.237668 -2.164960 1.303700
H -0.222881 -0.425256 -1.233595
H -0.228422 -2.212548 -1.194084
H 2.252569 -0.373105 -0.261678
H 2.240325 -2.193279 -0.261133
H -2.230905 -2.186432 0.372404
H -2.250189 -0.367727 0.298421
H 6.877758 -0.023348 2.006054
H 5.169087 0.469763 2.299686
H -6.873424 -0.125622 -2.000147
H -5.165347 0.354443 -2.317349
H 4.960051 1.373118 -0.003915
H 6.379714 2.116710 0.801391
H -4.957912 1.358998 -0.053559
H -6.371099 2.069120 -0.901053
H 6.531572 0.071949 -1.369306
H -6.528178 0.152806 1.381815
H 8.430068 0.003587 -2.609204
H 9.263144 1.593770 -2.637518
H 9.898515 0.288325 -1.614985
H -8.438161 0.136499 2.605000
H -9.314947 1.700216 2.503861
H -9.898141 0.305395 1.572585


