%chk=000266869.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266869

0 1
S -0.618110 0.857268 1.348741
O 0.045743 2.125968 1.564947
O -0.513659 -0.185436 2.353381
O 5.295438 1.526136 -1.891345
O 3.190050 1.986183 -1.960562
N 0.088872 0.237107 -0.107931
N 4.146286 1.369711 -1.507778
C 1.398526 0.776218 -0.533775
C -2.262141 1.101274 0.927837
C -0.359100 -0.981596 -0.716960
C 2.612124 0.074624 0.036062
C 3.906258 0.378577 -0.444249
C -3.233324 0.155891 1.281563
C -2.640714 2.261626 0.239569
C 2.502720 -0.877663 1.063321
C -0.321148 -1.105961 -2.121085
C -0.872273 -2.031431 0.067614
C -4.951107 1.520360 0.244890
C -4.569855 0.360642 0.943648
C -3.975416 2.472381 -0.101874
C 5.046365 -0.261648 0.086335
C 3.630141 -1.507540 1.587385
C -0.809748 -2.263974 -2.724679
C -1.364135 -3.179348 -0.557081
C 4.908677 -1.203504 1.097503
C -1.338055 -3.301961 -1.948987
C -6.381362 1.748741 -0.108594
H 1.452102 1.868096 -0.254881
H 1.448438 0.768110 -1.656559
H -2.944166 -0.747337 1.832062
H -1.888106 3.012955 -0.026226
H 1.519577 -1.133080 1.478674
H 0.079960 -0.298714 -2.731977
H -0.865107 -1.976485 1.160664
H -5.318865 -0.378649 1.222130
H -4.261996 3.376827 -0.636103
H 6.036669 -0.004352 -0.308880
H 3.515761 -2.241149 2.388625
H -0.781364 -2.357940 -3.810337
H -1.762829 -3.990639 0.052178
H 5.786469 -1.699239 1.510347
H -1.720169 -4.200445 -2.426927
H -6.499779 2.332287 -1.032821
H -6.937417 0.811150 -0.250168
H -6.894728 2.307960 0.690405


%chk=000266869-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266869

0 1
S -0.670041 0.890407 1.541570
O -0.008370 2.355374 1.795122
O -0.641998 -0.218423 2.740093
O 5.204574 0.932144 -2.477416
O 3.381623 2.151368 -1.870228
N 0.209780 0.268861 0.031858
N 4.196498 1.156764 -1.701712
C 1.462706 0.955439 -0.299133
C -2.451268 1.088188 0.969402
C -0.266698 -0.898915 -0.637341
C 2.714062 0.164915 0.106483
C 3.973345 0.242517 -0.556328
C -3.405834 0.169522 1.429241
C -2.757057 2.186693 0.150074
C 2.637836 -0.722052 1.210662
C -0.155339 -0.974689 -2.055098
C -0.854646 -1.983087 0.070981
C -5.111106 1.446436 0.183734
C -4.744440 0.360359 1.021397
C -4.102117 2.352336 -0.242903
C 5.090268 -0.535077 -0.162515
C 3.747874 -1.481359 1.633159
C -0.616784 -2.116154 -2.741504
C -1.339624 -3.106023 -0.633836
C 4.979624 -1.396923 0.940932
C -1.221059 -3.185546 -2.039391
C -6.557586 1.656776 -0.222852
H 1.459338 1.933935 0.222644
H 1.478109 1.205620 -1.371879
H -3.112522 -0.652346 2.089226
H -1.979999 2.892065 -0.160908
H 1.688579 -0.812414 1.750489
H 0.287590 -0.145670 -2.616186
H -0.902681 -1.954635 1.164515
H -5.512143 -0.344283 1.360178
H -4.371783 3.197652 -0.885993
H 6.020619 -0.439712 -0.728310
H 3.649455 -2.140292 2.502264
H -0.514906 -2.162458 -3.831622
H -1.790922 -3.933014 -0.073963
H 5.841434 -1.990462 1.261486
H -1.585080 -4.066268 -2.578740
H -6.634779 2.140222 -1.212004
H -7.111698 0.703293 -0.261281
H -7.077332 2.310917 0.503735


