%chk=000114638.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114638

0 1
 S    3.140800      -1.692300      0.4655000    
 P    2.919000      0.1271000     -0.5632000    
 O    1.713500       1.005300      7.7000000E-02
 O    4.199600       1.066500     -0.2163000    
 O    2.786700     -8.8000000E-02  -2.047700    
 O   -4.522800      0.4511000      0.5155000    
 O   -4.048900      -1.390100     -0.5818000    
 N   -3.695500     -0.3241000     -2.2200000E-02
 C   0.3920000      0.6804000      5.2600000E-02
 C  -0.5453000       1.528000      0.6434000    
 C  -2.5400000E-02 -0.4997000     -0.5631000    
 C   -2.317000      1.5799999E-02  2.9000000E-03
 C   -1.899700       1.195700      0.6186000    
 C   -1.380000     -0.8319000     -0.5879000    
 C    3.283000      -1.243900       2.206800    
 H  -0.2254000       2.448400       1.124400    
 H   0.6602000      -1.183600      -1.048100    
 H   -2.601400       1.879700       1.089000    
 H   -1.669400      -1.757600      -1.078900    
 H    2.381000     -0.7201000       2.532400    
 H    4.148000     -0.5929000       2.355200    
 H    3.408300      -2.145500       2.811400    
 H    4.320500       1.900700     -0.7181000    


%chk=000114638-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114638

0 1
S 3.420009 -1.856448 1.173253
P 2.948894 -0.412346 -0.491866
O 1.658845 0.663231 0.091233
O 4.203531 0.743798 -0.284984
O 2.700328 -1.036428 -1.928198
O -4.669769 0.412661 0.722728
O -4.442571 -0.767097 -1.217705
N -3.954583 -0.104441 -0.221788
C 0.276573 0.402259 -0.032773
C -0.537224 0.955535 0.985931
C -0.285096 -0.312479 -1.121511
C -2.486798 0.073722 -0.157196
C -1.931603 0.796110 0.923720
C -1.681154 -0.480435 -1.176274
C 3.839858 -0.611166 2.539171
H -0.063772 1.503164 1.805415
H 0.357744 -0.724721 -1.905016
H -2.591174 1.209228 1.690957
H -2.154332 -1.026790 -1.996240
H 2.954384 -0.009201 2.785822
H 4.673046 0.022446 2.209450
H 4.135548 -1.230119 3.401113
H 4.051117 1.618516 -0.727843


