%chk=000035127.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035127

0 1
 S    1.173200     -0.6647000     -0.7499000    
 N  -0.8600000      0.9868000     -0.2394000    
 N   -1.339800      -1.363600     -0.1851000    
 N   -3.081300      0.2269000      0.2570000    
 N   -2.581700       2.517500      0.1974000    
 N   -3.519300      -2.076900      0.3038000    
 C    3.540100      0.7117000     -0.1922000    
 C    4.209800     -0.5036000      0.4549000    
 C    2.024500      0.7536000      1.7000000E-03
 C    5.723400     -0.4392000      0.3173000    
 C  -0.5329000     -0.3074000     -0.3464000    
 C   -2.153700       1.178700      6.5099999E-02
 C   -2.602400      -1.019700      0.1160000    
 H    3.778800      0.7388000      -1.263100    
 H    3.963900       1.626000      0.2424000    
 H    3.862300      -1.433600     -6.6999998E-03
 H    3.948300     -0.5490000       1.518400    
 H    1.789400      0.7832000       1.071300    
 H    1.647400       1.677000     -0.4509000    
 H    6.184100      -1.314700      0.7857000    
 H    6.124300      0.4558000      0.8035000    
 H    6.020900     -0.4212000     -0.7360000    
 H   -1.917500       3.267200      6.2300000E-02
 H   -3.546900       2.710600      0.4262000    
 H   -3.203300      -3.032000      0.2071000    
 H   -4.481100      -1.866100      0.5314000    


%chk=000035127-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000035127

0 1
S 1.180933 -0.898828 -0.380688
N -0.830139 0.896779 0.144309
N -1.444002 -1.427032 -0.223867
N -3.181489 0.228143 0.252745
N -2.526287 2.450104 0.595355
N -3.704097 -2.027756 -0.111310
C 3.571347 0.592955 -0.419940
C 4.295186 -0.289797 0.624171
C 2.065116 0.773479 -0.168343
C 5.812438 -0.389559 0.359530
C -0.544944 -0.408306 -0.124071
C -2.174558 1.153708 0.323209
C -2.752380 -1.046401 -0.024548
H 3.737165 0.182257 -1.436291
H 4.030559 1.603619 -0.415318
H 3.848825 -1.303233 0.625091
H 4.117398 0.128276 1.635812
H 1.852376 1.129037 0.852900
H 1.601173 1.468651 -0.885235
H 6.312618 -1.019386 1.117632
H 6.288202 0.609494 0.382607
H 6.013099 -0.833943 -0.633667
H -1.798833 3.157528 0.654032
H -3.507093 2.678955 0.733644
H -3.410536 -2.979503 -0.315647
H -4.681580 -1.787140 0.029687


