%chk=000088658.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088658

0 1
 S   -2.906800       1.085800      4.5100000E-02
 P   -4.596700     -0.1501000      6.6500001E-02
 O   -4.672500     -0.9792000      -1.326100    
 O   -5.922800      0.7790000     -3.7999999E-02
 O   -4.608100      -1.043900       1.276800    
 N   0.9424000     -0.1950000     -1.8700000E-02
 N    7.195300      9.6600004E-02  1.7200001E-02
 C    3.381000     -0.4513000     -3.2900002E-02
 C    2.208200      0.5286000      5.0000002E-04
 C    4.720300      0.2922000     -4.1000000E-03
 C  -0.1839000      0.7276000      2.2000000E-03
 C    5.935800     -0.6373000     -8.1000002E-03
 C   -1.492100     -5.3100001E-02  1.9500000E-02
 H    3.326900      -1.069800     -0.9374000    
 H    3.325700      -1.130100      0.8274000    
 H    2.272500       1.194300     -0.8686000    
 H    2.277100       1.147000      0.9040000    
 H    4.775100      0.9632000     -0.8710000    
 H    4.757300      0.9284000      0.8897000    
 H   0.8925000     -0.8210000      0.7846000    
 H  -0.1488000       1.370700     -0.8861000    
 H  -0.1243000       1.369800      0.8902000    
 H    5.898100      -1.303000      0.8611000    
 H    5.915500      -1.272300     -0.9006000    
 H   -1.551700     -0.6953000      0.9048000    
 H   -1.577300     -0.6899000     -0.8674000    
 H    7.223100      0.6962000      0.8411000    
 H    7.239300      0.7244000     -0.7849000    
 H   -5.348200      -1.684200      -1.419300    
 H   -6.802300      0.3605000      7.7900000E-02


%chk=000088658-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088658

0 1
S -3.168430 0.302502 -1.804567
P -3.990887 -0.300165 0.217443
O -5.578833 -0.791902 -0.210927
O -4.497303 1.105556 1.115587
O -3.051997 -1.292217 1.037124
N 0.774415 -0.351505 -0.581857
N 6.968953 0.256390 0.853632
C 3.210384 -0.391307 -0.070006
C 1.933177 0.466294 -0.157690
C 4.454675 0.421054 0.355038
C -0.501712 0.366762 -0.737009
C 5.738331 -0.450060 0.448405
C -1.457754 -0.505475 -1.566037
H 3.383276 -0.867049 -1.055159
H 3.048984 -1.217089 0.655892
H 2.078837 1.267031 -0.910128
H 1.766152 0.975865 0.825356
H 4.629391 1.243543 -0.370014
H 4.273987 0.900908 1.340067
H 0.668588 -1.192485 0.002518
H -0.307047 1.315246 -1.271719
H -0.988829 0.631286 0.234387
H 5.565045 -1.275786 1.166437
H 5.924919 -0.928647 -0.532882
H -1.627763 -1.483961 -1.086464
H -1.076750 -0.658653 -2.588963
H 6.942230 0.633649 1.806128
H 7.293957 0.955602 0.178601
H -6.261892 -0.569309 0.475245
H -3.795503 1.522721 1.676962


