%chk=000190369.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190369

0 1
S 2.221624 1.052396 1.500899
O 2.160683 0.492536 2.822724
O 3.004337 2.241022 1.274269
O 2.508370 -3.893278 0.252627
O 2.241810 2.203414 -1.047379
O 4.173423 1.810068 -2.173281
O -0.341415 -0.535749 1.343916
O -4.083245 -2.270959 -1.218823
N 0.597393 1.533943 1.057660
N -1.764588 1.293175 0.938713
N -4.094541 1.373700 0.600323
N -2.826609 -0.567327 -0.167203
N -5.253760 -0.443051 -0.508437
C 2.595798 -0.217570 0.361252
C 3.085296 0.031161 -0.924908
C 2.388919 -1.523041 0.795253
C 3.410088 -1.038628 -1.780242
C 2.692668 -2.581643 -0.082347
C 3.215870 -2.353146 -1.367873
C 3.291480 1.407992 -1.456614
C -0.491659 0.642350 1.121716
C -2.916107 0.656726 0.453362
C -5.232397 0.786001 0.103268
C -4.031731 -1.071556 -0.614013
C 2.371260 3.635947 -1.285241
C -6.516063 1.524185 0.230419
C -2.817630 -3.002106 -1.344493
H 1.976731 -1.726753 1.792487
H 3.819591 -0.829355 -2.774425
H 0.470143 2.466890 0.636325
H 3.455229 -3.199828 -2.012998
H -1.896274 2.257362 1.278904
H 2.109343 -4.000026 1.158390
H 1.349351 3.960218 -1.493159
H 2.775244 4.058521 -0.353737
H 3.039402 3.837082 -2.131315
H -6.506389 2.224621 1.081972
H -6.715442 2.116529 -0.679222
H -7.369982 0.835622 0.355614
H -2.381825 -3.172784 -0.353839
H -2.128460 -2.440708 -1.982848
H -3.163035 -3.929953 -1.814995


%chk=000190369-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190369

0 1
S 2.112651 0.933131 1.669239
O 1.969472 0.094937 3.042020
O 2.952231 2.314910 1.662075
O 3.154116 -3.988272 0.258546
O 2.205327 2.258870 -1.067422
O 4.129615 1.854489 -2.327768
O -0.456534 -0.764583 1.204392
O -4.454690 -2.257394 -1.149251
N 0.413971 1.423358 1.141656
N -1.862423 1.137797 0.886103
N -4.140890 1.439346 0.558405
N -3.081418 -0.628274 -0.162213
N -5.474150 -0.295176 -0.490467
C 2.705690 -0.305649 0.317915
C 3.215706 0.085556 -0.940393
C 2.669519 -1.627666 0.771827
C 3.745906 -0.959433 -1.751875
C 3.167476 -2.639773 -0.084942
C 3.720815 -2.300624 -1.343566
C 3.268925 1.464551 -1.506489
C -0.622841 0.469209 1.073787
C -3.061788 0.603479 0.411370
C -5.327340 0.940205 0.080442
C -4.320054 -1.022163 -0.580134
C 2.292795 3.710691 -1.374570
C -6.546643 1.814046 0.173610
C -3.226402 -3.086814 -1.251350
H 2.263218 -1.844124 1.767160
H 4.176233 -0.680043 -2.718614
H 0.431933 2.261184 0.549473
H 4.118534 -3.096523 -1.978577
H -1.952814 2.097782 1.232051
H 2.735721 -4.139759 1.143004
H 1.265375 4.044154 -1.584524
H 2.701591 4.210588 -0.481037
H 2.945732 3.872789 -2.246278
H -6.431942 2.552103 0.981874
H -6.686245 2.363655 -0.776701
H -7.444764 1.197055 0.332066
H -2.752310 -3.197878 -0.262946
H -2.507914 -2.617726 -1.943570
H -3.588491 -4.048013 -1.641624


