%chk=000178624.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178624

0 1
 S   0.4782000      -2.146800      0.3115000    
 P  -0.3124000     -0.3677000     -0.4337000    
 O   -1.619900      5.2800000E-02  0.4405000    
 O  -0.7135000     -0.6166000      -1.867600    
 O   0.6394000      -1.955100       1.738900    
 O    1.606700      -2.462700     -0.5408000    
 N   0.7991000      0.8341000     -0.2326000    
 C    1.260900       1.162100       1.114100    
 C    1.995800      0.8439000      -1.074000    
 C    2.281200       2.255000      0.8697000    
 C    2.923300       1.881200     -0.4565000    
 C   -2.311300       1.257300      0.1645000    
 C  -0.7609000      -3.387600      6.4700000E-02
 C   -2.825000       1.222900      -1.266800    
 C   -3.441600       1.427300       1.168300    
 H    1.749000      0.3066000       1.590200    
 H   0.4489000       1.507800       1.760000    
 H    1.746700       1.098700      -2.108900    
 H    2.492000     -0.1308000      -1.076700    
 H    3.014700       2.330200       1.678000    
 H    1.781100       3.226900      0.7762000    
 H    3.029000       2.764100      -1.095700    
 H    3.921300       1.457300     -0.2989000    
 H   -1.622700       2.100800      0.2830000    
 H   -1.661000      -3.093300      0.6070000    
 H  -0.9646000      -3.471300      -1.004000    
 H  -0.3804000      -4.335200      0.4511000    
 H   -3.565800       2.012300      -1.434100    
 H   -2.018200       1.403400      -1.982800    
 H   -3.286800      0.2594000      -1.506900    
 H   -3.985800       2.362200       1.004000    
 H   -3.046500       1.427600       2.189900    
 H   -4.148500      0.5927000       1.104700    


%chk=000178624-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178624

0 1
S -0.138604 -1.961172 0.010313
P -0.303104 0.575743 -0.912485
O -1.498506 1.415605 0.011198
O -0.408381 0.507972 -2.509548
O -1.361485 -2.539916 0.955314
O 1.412982 -1.980173 0.585966
N 1.122619 1.212389 -0.215057
C 1.240658 1.506976 1.252819
C 2.462986 0.984827 -0.846075
C 2.763909 1.699975 1.448101
C 3.392367 0.780904 0.369632
C -2.968730 1.071994 -0.154550
C -0.127143 -3.074635 -1.553846
C -3.398859 0.200709 1.029383
C -3.678598 2.427353 -0.232300
H 0.871891 0.649772 1.846836
H 0.644738 2.399247 1.505511
H 2.738140 1.879482 -1.437204
H 2.443104 0.112260 -1.521124
H 3.073449 1.427464 2.470554
H 3.042155 2.755113 1.270471
H 4.438689 1.042743 0.139920
H 3.339645 -0.273273 0.691784
H -3.085751 0.526014 -1.112594
H -1.140003 -3.040737 -1.977227
H 0.624316 -2.659111 -2.238464
H 0.141191 -4.076155 -1.188612
H -4.471216 -0.052460 0.931056
H -2.824568 -0.742814 1.081436
H -3.259819 0.750956 1.976793
H -4.768385 2.272348 -0.333994
H -3.322659 3.012618 -1.096520
H -3.494629 3.007484 0.688813


