%chk=000093830.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093830

0 1
 S    1.097800      -1.013800       2.890000    
 P    1.030200     -0.8251000      0.9375000    
 O  -0.4888000     -0.9071000      0.3457000    
 O    1.651800      -2.131600      0.1725000    
 O   -4.185700      -1.522800      -1.264300    
 O   -2.170200      -2.278500     -0.8333000    
 N   -3.037800      -1.375000     -0.7823000    
 C    1.776400      0.5379000      6.1099999E-02
 C   -1.443100      6.5700002E-02  0.3919000    
 C    1.356600      0.8296000      -1.227400    
 C    2.764700       1.285500      0.6823000    
 C    3.054200      -2.344200      0.1431000    
 C   -2.708800     -0.1407000     -0.1570000    
 C   -1.137100       1.282700       1.001100    
 C    1.940000       1.895600      -1.912100    
 C    3.348000       2.351700     -2.4999999E-03
 C    2.935500       2.656600      -1.299700    
 C   -3.668400      0.8698000     -9.6400000E-02
 C    3.343900      -3.616300     -0.6248000    
 C   -2.096800       2.293100       1.061700    
 C   -3.362300       2.086700      0.5129000    
 H   0.5993000      0.2341000      -1.726800    
 H    3.101500       1.056700       1.687600    
 H    3.549300      -1.503100     -0.3495000    
 H    3.434100      -2.428100       1.165500    
 H  -0.1854000       1.491300       1.471800    
 H    1.622500       2.129900      -2.924000    
 H    4.124600       2.943200      0.4735000    
 H    3.390800       3.485800      -1.833500    
 H   -4.665400      0.7475000     -0.5120000    
 H    4.419100      -3.811300     -0.6669000    
 H    2.847600      -4.471700     -0.1546000    
 H    2.956900      -3.546100      -1.646800    
 H   -1.861600       3.238400       1.542200    
 H   -4.109600       2.873400      0.5618000    


%chk=000093830-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000093830

0 1
S 2.163703 -0.208164 2.806744
P 1.680338 -0.392424 0.804064
O -0.046278 -0.767021 0.435067
O 2.307257 -1.758521 -0.028407
O -3.359953 -1.320812 -1.831121
O -1.128036 -0.955259 -2.086407
N -2.234743 -0.818891 -1.435963
C 2.077733 1.000310 -0.331167
C -1.134146 0.065433 0.680528
C 1.572489 0.978877 -1.654005
C 2.895710 2.055093 0.134019
C 2.145746 -3.113382 0.590964
C -2.254219 -0.007489 -0.200027
C -1.227492 0.901906 1.821308
C 1.908545 2.039306 -2.523481
C 3.221259 3.109327 -0.747135
C 2.731323 3.099352 -2.074200
C -3.443339 0.708494 0.072247
C 3.016387 -4.058848 -0.229521
C -2.399635 1.644983 2.065586
C -3.515212 1.546923 1.198698
H 0.919295 0.165115 -1.985609
H 3.265374 2.044993 1.165778
H 2.466343 -3.060077 1.649326
H 1.075463 -3.383667 0.542317
H -0.384793 0.942639 2.518916
H 1.525247 2.036979 -3.549173
H 3.855256 3.931667 -0.399609
H 2.986920 3.918005 -2.756081
H -4.285993 0.596490 -0.615702
H 2.924599 -5.086421 0.168331
H 2.697634 -4.063793 -1.285313
H 4.076117 -3.756775 -0.182279
H -2.447125 2.290355 2.949131
H -4.427974 2.115099 1.400476


