%chk=000267993.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267993

0 1
S 1.926249 1.377921 1.014762
S 2.616258 0.935853 -1.872877
O -2.533134 -2.634374 -2.589542
O -0.431708 -2.137135 -2.498391
N -0.525320 2.225656 0.405236
N 3.067582 -0.823103 0.068890
N -1.272000 2.918542 1.313209
N -1.601922 -1.951225 -2.197844
C -1.247173 1.128602 -0.109322
C -2.539662 1.183577 0.523221
C 0.861126 2.592926 0.154335
C 3.661068 -1.768302 -0.934157
C 3.045864 -1.312819 1.480185
C -0.918774 0.115702 -1.029926
C -2.485857 2.330298 1.396265
C -3.516154 0.215338 0.216837
C 2.591779 0.370249 -0.306487
C -1.903361 -0.828796 -1.277212
C -3.196348 -0.784971 -0.678015
C 2.596703 -2.706447 -1.485417
C 4.263703 -0.823368 2.255204
H 1.076417 2.634952 -0.948599
H 1.089909 3.602118 0.581033
H 4.138095 -1.190446 -1.765398
H 4.479037 -2.336352 -0.437823
H 2.099192 -1.005277 1.986475
H 3.019931 -2.428469 1.464542
H 0.059159 0.073293 -1.527260
H -3.271948 2.700637 2.036030
H -4.498389 0.266785 0.685499
H -3.922920 -1.558372 -0.947024
H 2.140812 -3.336902 -0.715581
H 1.773556 -2.156403 -1.977990
H 3.019033 -3.369445 -2.251613
H 5.205310 -1.155585 1.799951
H 4.308872 0.273340 2.315208
H 4.246615 -1.199699 3.286393


%chk=000267993-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267993

0 1
S 1.930865 1.341566 1.132930
S 2.504385 0.873076 -1.932739
O -2.740758 -2.707079 -2.547409
O -0.571649 -2.017837 -2.670446
N -0.646326 2.203920 0.423684
N 3.184913 -0.839514 0.085841
N -1.387402 2.954075 1.350385
N -1.781506 -1.902067 -2.229164
C -1.400023 1.150240 -0.098118
C -2.702938 1.249232 0.506862
C 0.748134 2.521263 0.217870
C 3.810403 -1.746300 -0.924512
C 3.238940 -1.320910 1.495938
C -1.061127 0.130535 -1.010484
C -2.619920 2.387089 1.384105
C -3.709217 0.303919 0.169291
C 2.598634 0.327672 -0.308649
C -2.086657 -0.788308 -1.297633
C -3.398278 -0.719027 -0.736005
C 2.802777 -2.774046 -1.478201
C 4.501426 -0.839981 2.242392
H 1.046340 2.441623 -0.846602
H 0.937760 3.524601 0.619123
H 4.204999 -1.120401 -1.742192
H 4.659053 -2.250848 -0.426271
H 2.327832 -0.987127 2.022290
H 3.211288 -2.424702 1.457313
H -0.075337 0.041461 -1.478381
H -3.385653 2.813479 2.029372
H -4.707958 0.367815 0.611701
H -4.130825 -1.475642 -1.026426
H 2.391662 -3.413326 -0.675459
H 1.965011 -2.269753 -1.987663
H 3.306939 -3.430380 -2.210306
H 5.421377 -1.167599 1.725967
H 4.519716 0.260449 2.319573
H 4.514719 -1.258868 3.264823


