%chk=000178585.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178585

0 1
 S   0.1294000      -2.794600      -1.432100    
 P  -0.1418000      -1.293300     -0.1943000    
 O   -1.079100      -1.779500       1.057600    
 N  -0.9185000      4.9400002E-02 -0.8194000    
 N    1.242600     -0.7017000      0.5355000    
 C   -1.343100       1.125800      6.3900001E-02
 C    2.237900      2.2100000E-02 -0.2420000    
 C   -2.341100       2.034200     -0.6498000    
 C    3.195400      0.7668000      0.6849000    
 C   -2.784700       3.180900      0.2456000    
 C    4.233600       1.549400     -0.1042000    
 C   -2.430600      -2.159500      0.8542000    
 H   -1.813700      0.7183000      0.9645000    
 H  -0.4697000       1.704400      0.3840000    
 H    2.792700     -0.6799000     -0.8741000    
 H    1.750000      0.7451000     -0.9039000    
 H  -0.5190000      0.4462000      -1.669200    
 H    1.715600      -1.340400       1.174400    
 H   -1.891100       2.448500      -1.560200    
 H   -3.221700       1.457100     -0.9570000    
 H    2.636100       1.460200       1.324700    
 H    3.708900      5.7999998E-02   1.345900    
 H   -3.271100       2.805600       1.151600    
 H   -1.931500       3.798700      0.5436000    
 H   -3.498700       3.820200     -0.2832000    
 H    4.833100      0.8828000     -0.7324000    
 H    3.756700       2.293900     -0.7497000    
 H    4.910600       2.074400      0.5769000    
 H   -2.982300      -1.988600       1.782100    
 H   -2.476000      -3.223300      0.6083000    
 H   -2.896100      -1.577400      5.5199999E-02


%chk=000178585-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178585

0 1
S -0.038329 -2.664996 -1.819716
P -0.246944 -1.082545 -0.474435
O -1.264493 -1.428425 0.929102
N -0.799499 0.325662 -1.302163
N 1.048673 -0.477127 0.502074
C -1.081412 1.624495 -0.659047
C 2.329076 -0.059209 -0.107486
C -2.558999 1.817270 -0.240853
C 3.119101 0.844458 0.861127
C -2.794494 3.199765 0.405617
C 4.467842 1.294763 0.260120
C -2.400557 -2.347060 0.741359
H -0.428154 1.699091 0.230241
H -0.778161 2.430925 -1.357035
H 2.950600 -0.933816 -0.399482
H 2.097450 0.497235 -1.035205
H -1.191965 0.149133 -2.230321
H 1.103470 -0.904850 1.431817
H -3.212024 1.700123 -1.129078
H -2.828998 1.012306 0.469157
H 2.497295 1.723082 1.117834
H 3.300217 0.295210 1.807996
H -2.169811 3.325499 1.309850
H -2.543451 4.018943 -0.294808
H -3.850103 3.325804 0.706198
H 5.108185 0.426094 0.018274
H 4.315815 1.871084 -0.671554
H 5.022603 1.937013 0.967334
H -2.691014 -2.660880 1.756033
H -2.101774 -3.224819 0.137517
H -3.247343 -1.830427 0.250934


