%chk=000178621.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178621

0 1
 S   -1.773600       1.595500      5.6200001E-02
 P  -0.6457000     -8.2800001E-02  0.6333000    
 O  -0.6691000     -0.2104000       2.134500    
 N   0.8461000      1.4400000E-02 -7.3799998E-02
 N   -1.508900      -1.233200     -0.2100000    
 C    1.693100      -1.177700     -0.1139000    
 C    1.734900       1.118100      0.2821000    
 C    3.066300     -0.6911000     -0.5557000    
 C    2.983300      0.8265000     -0.5250000    
 C   -2.873000     -0.8028000     -0.5545000    
 C   -2.853600      0.6436000      -1.073300    
 H    1.297000      -1.926900     -0.8063000    
 H    1.760100      -1.634600      0.8805000    
 H    1.953100       1.107200       1.356400    
 H    1.315500       2.093700      2.1000000E-02
 H    3.317600      -1.042300      -1.562100    
 H    3.839700      -1.052500      0.1309000    
 H    3.877700       1.280900     -8.8399999E-02
 H    2.873900       1.210600      -1.546800    
 H   -1.523400      -2.183700      0.1564000    
 H   -3.507200     -0.8727000      0.3373000    
 H   -3.294500      -1.468400      -1.314300    
 H   -2.422400      0.6860000      -2.078300    
 H   -3.857100       1.076500      -1.094300    


%chk=000178621-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178621

0 1
S -1.716545 1.412351 -1.202107
P -0.683629 0.492560 0.721250
O -0.762603 1.401060 2.038364
N 0.939270 -0.028558 0.413817
N -1.607147 -0.974812 0.547880
C 1.309397 -0.688347 -0.874731
C 2.102591 0.704863 1.003672
C 2.846209 -0.498989 -0.958340
C 3.099910 0.813479 -0.171832
C -2.885885 -0.931884 -0.181242
C -2.662082 -0.206578 -1.525176
H 0.794933 -0.185146 -1.720569
H 1.013329 -1.751512 -0.873539
H 2.530041 0.109822 1.834303
H 1.782444 1.676918 1.416227
H 3.195744 -0.452211 -2.003639
H 3.360595 -1.342801 -0.462684
H 4.143885 0.911493 0.171277
H 2.856790 1.690855 -0.799032
H -1.439752 -1.739493 1.203365
H -3.685914 -0.417523 0.391358
H -3.211499 -1.970951 -0.374354
H -2.068285 -0.826404 -2.215609
H -3.621998 0.075709 -1.986758


