%chk=000268677.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268677

0 1
S 0.457125 0.034204 -1.727695
O -4.511586 -0.508954 -0.065838
O 0.068235 0.975394 0.734340
O 4.534969 -0.849110 1.177682
O 4.911640 0.618400 -0.468623
N -1.826100 0.639329 -0.541164
C -2.793660 0.964263 0.534181
C -3.551920 -0.286277 0.996072
C 2.161955 0.505201 -1.308642
C 2.654382 -0.306376 -0.124302
C -0.475432 0.627016 -0.289209
C 4.116761 -0.082633 0.110976
C -5.314767 -1.687796 0.120561
H -3.519843 1.713788 0.134112
H -2.263160 1.436447 1.395655
H -4.092706 -0.107216 1.941978
H -2.900268 -1.170571 1.101373
H 2.771550 0.324788 -2.220776
H 2.220919 1.594784 -1.099699
H 2.082370 -0.029840 0.804053
H 2.460744 -1.396648 -0.251742
H -2.232952 0.266847 -1.400523
H -4.689153 -2.585045 0.128139
H -5.964180 -1.675475 -0.764381
H -5.909274 -1.609778 1.035379
H 5.500550 -0.728340 1.381496


%chk=000268677-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268677

0 1
S 0.420505 -0.094105 -1.757349
O -4.409492 -0.570854 -0.199826
O 0.117672 1.303035 0.623152
O 4.738732 -0.831981 1.120303
O 4.907254 0.803150 -0.519904
N -1.831944 0.443247 -0.344255
C -2.765828 0.931636 0.682516
C -3.754537 -0.175518 1.055325
C 2.159752 0.468626 -1.295875
C 2.767285 -0.407978 -0.192102
C -0.481536 0.670598 -0.286651
C 4.216138 -0.051946 0.076473
C -5.350340 -1.676347 -0.025197
H -3.324950 1.808600 0.302643
H -2.178912 1.250192 1.560255
H -4.504020 0.203783 1.783193
H -3.223668 -1.044972 1.500208
H 2.738980 0.423476 -2.231571
H 2.083110 1.516624 -0.968631
H 2.194519 -0.287153 0.745048
H 2.719923 -1.481201 -0.456364
H -2.248168 -0.077551 -1.121102
H -4.841374 -2.585337 0.359326
H -5.771191 -1.884911 -1.020949
H -6.170364 -1.401690 0.670775
H 5.688652 -0.575022 1.273961


