%chk=000178618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178618

0 1
 S    1.500200       1.303900     -3.7999999E-02
 P   0.2274000     -0.3327000     -0.3904000    
 O   0.1382000     -0.4689000      -1.895000    
 O    1.627100       1.389800       1.404100    
 O   0.9710000       2.410300     -0.8100000    
 N   -1.261100     -2.3600001E-02  0.3335000    
 N   0.8404000      -1.683100      0.3818000    
 C   -2.286000      -1.069000      0.2631000    
 C   -1.891100       1.263400      1.2000000E-02
 C    3.097300      0.8990000     -0.6811000    
 C    1.078000      -1.633700       1.822100    
 C    1.861900      -2.499400     -0.2689000    
 C   -2.898000      -1.145300      -1.125300    
 C   -3.005200       1.589300      0.9921000    
 H   -1.825800      -2.036800      0.4928000    
 H   -3.060300     -0.9518000       1.028100    
 H   -1.159200       2.057600      0.1631000    
 H   -2.212300       1.352200      -1.030300    
 H    3.533400      0.1013000     -8.0700003E-02
 H    2.987800      0.5923000      -1.722500    
 H    3.725300       1.790200     -0.6186000    
 H    1.104100      -2.642900       2.247600    
 H   0.2742000      -1.099200       2.337200    
 H    2.024700      -1.137000       2.055600    
 H    1.607400      -2.658600      -1.321400    
 H    1.927100      -3.491500      0.1911000    
 H    2.847300      -2.029800     -0.2246000    
 H   -3.537500     -0.2905000      -1.362700    
 H   -2.157900      -1.266100      -1.918300    
 H   -3.546600      -2.028300      -1.174300    
 H   -3.918200       1.018400      0.7993000    
 H   -2.695200       1.424300       2.029900    
 H   -3.274900       2.647600      0.9001000    


%chk=000178618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178618

0 1
S 1.770105 1.353660 0.476578
P 0.260864 -0.575761 -0.562404
O 0.743790 -0.736503 -2.090735
O 2.787056 0.478018 1.442345
O 1.026875 2.694974 1.086433
N -1.357952 -0.168337 -0.111044
N 0.702325 -1.898426 0.463571
C -2.392466 -1.217108 0.116820
C -1.840155 1.222954 -0.361404
C 2.843888 1.966666 -0.993910
C 0.499484 -1.821043 1.929164
C 1.774751 -2.810834 0.014084
C -3.034720 -1.742188 -1.185121
C -2.230855 1.962443 0.931874
H -1.937772 -2.053936 0.674347
H -3.160016 -0.768762 0.775343
H -1.040907 1.789742 -0.875005
H -2.694491 1.175713 -1.065675
H 3.259739 1.072918 -1.478003
H 2.179313 2.529828 -1.662911
H 3.616279 2.601131 -0.536371
H 0.142767 -2.801685 2.296698
H -0.255089 -1.054507 2.170537
H 1.444668 -1.548816 2.433551
H 1.871428 -2.758385 -1.082777
H 1.509256 -3.844786 0.302586
H 2.742818 -2.540603 0.478314
H -3.501751 -0.925975 -1.764221
H -2.279860 -2.228806 -1.828094
H -3.820049 -2.484308 -0.948936
H -2.986653 1.402073 1.512201
H -1.336246 2.133184 1.553820
H -2.662926 2.948864 0.679743


