%chk=000116567.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116567

0 1
 S   -3.651300      6.7100003E-02 -0.2465000    
 P   0.5599000     -7.1000000E-03  0.9885000    
 O   -4.633700      -1.024700      0.4628000    
 O   -3.485500     -0.2915000      -1.643000    
 O   -4.070300       1.398800      0.1511000    
 N    3.325600       4.058200     -0.7542000    
 N    2.996800      -4.310300     -0.6711000    
 C  -0.9762000      0.3947000      6.9899999E-02
 C    1.750300       1.076400      0.1085000    
 C   0.9744000      -1.622400      0.2249000    
 C   -2.175900     -0.3491000      0.6298000    
 C    1.631300       2.530700      0.5551000    
 C    2.430200      -2.009100      0.4698000    
 C    2.578400       3.383400     -0.1773000    
 C    2.745800      -3.295100     -0.1683000    
 H  -0.8529000      0.1798000     -0.9974000    
 H   -1.167000       1.470800      0.1455000    
 H    2.774700      0.7563000      0.3232000    
 H    1.613300      0.9942000     -0.9764000    
 H   0.3087000      -2.392900      0.6316000    
 H   0.7867000      -1.585300     -0.8553000    
 H   -2.344600     -0.1112000       1.685900    
 H   -2.042600      -1.432300      0.5331000    
 H   0.6175000       2.911700      0.3874000    
 H    1.825900       2.616900       1.631400    
 H    3.123700      -1.270200      5.8800001E-02
 H    2.634100      -2.076400       1.545400    
 H   -4.481500      -1.964000      0.2038000    


%chk=000116567-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116567

0 1
S -3.741605 -0.090123 -0.317400
P 0.696532 -0.063188 0.930569
O -4.788114 -0.867558 1.012914
O -3.898750 -0.921956 -1.696258
O -3.943278 1.515232 -0.327326
N 3.198794 4.428900 -0.563980
N 3.317509 -4.455966 -0.650332
C -0.947549 0.247876 -0.037788
C 1.773159 1.238215 0.013369
C 1.274565 -1.624199 -0.027227
C -2.086635 -0.536434 0.593659
C 1.603938 2.653869 0.627999
C 2.543703 -2.242043 0.620420
C 2.480702 3.642373 -0.026073
C 2.978337 -3.465909 -0.077301
H -0.804358 -0.022645 -1.100465
H -1.156211 1.331893 0.021951
H 2.826094 0.916276 0.108066
H 1.518534 1.247220 -1.062256
H 0.449753 -2.358634 0.000694
H 1.462550 -1.368826 -1.086218
H -2.306093 -0.258090 1.635859
H -2.038923 -1.629557 0.472145
H 0.557188 3.001812 0.534251
H 1.837610 2.631330 1.709459
H 3.382775 -1.519845 0.609126
H 2.348767 -2.487658 1.681703
H -5.743196 -0.844965 0.717440


