%chk=000052209.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052209

0 1
 S  -0.9007000       3.614000      0.4403000    
 S   -3.976800     -0.9163000       1.245200    
 N    1.184800       2.151700       1.301800    
 N   -1.434300      -1.761700       1.469800    
 N   0.9745000       2.162600     -0.9108000    
 N   -2.155600      -1.696600     -0.6315000    
 C    2.212300       1.374000      0.8328000    
 C  -0.3772000      -2.186500      0.7066000    
 C    2.059200       1.396400     -0.5509000    
 C  -0.8525000      -2.137000     -0.6010000    
 C   0.4742000       2.599600      0.2232000    
 C   -2.413300      -1.503200      0.6012000    
 C    3.231200      0.6744000       1.480000    
 C   0.9146000      -2.597200       1.037700    
 C    2.967600      0.6840000      -1.351900    
 C  -2.2000000E-03  -2.516300      -1.653400    
 C    4.126400     -2.8899999E-02  0.6672000    
 C    1.747300      -2.971000     -2.2299999E-02
 C    3.998600     -2.5599999E-02 -0.7236000    
 C    1.299000      -2.932100      -1.344600    
 C   -1.969000       3.199300     -0.9841000    
 C   -4.571100      0.1094000     -0.1266000    
 C   -2.890300       2.103200     -0.6772000    
 C   -3.646600       1.203800     -0.4281000    
 H   0.9869000       2.357200       2.271900    
 H   -1.453700      -1.668000       2.477200    
 H    3.327400      0.6722000       2.559800    
 H    1.260900      -2.624900       2.064600    
 H    2.876000      0.6790000      -2.433300    
 H  -0.3406000      -2.488500      -2.684300    
 H    4.935700     -0.5901000       1.127900    
 H    2.762900      -3.297100      0.1880000    
 H    4.708700     -0.5835000      -1.328600    
 H    1.970100      -3.227300      -2.147100    
 H   -2.545400       4.099000      -1.224100    
 H   -1.361200       2.969100      -1.864300    
 H   -5.549100      0.5128000      0.1543000    
 H   -4.723100     -0.5221000      -1.008000    


%chk=000052209-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052209

0 1
S -0.568857 4.142086 -0.433156
S -1.716930 -1.701010 1.712872
N 1.688131 5.211989 0.824847
N -1.212541 -4.293221 0.793815
N 2.122655 3.323902 -0.382412
N -2.909945 -3.243792 -0.315179
C 3.070903 4.981284 0.968543
C -1.677108 -5.225506 -0.154881
C 3.324114 3.789159 0.206350
C -2.739909 -4.546510 -0.844931
C 1.183658 4.192451 0.010634
C -1.986545 -3.137181 0.647693
C 4.085627 5.666745 1.663306
C -1.288578 -6.541826 -0.469133
C 4.632190 3.262738 0.135396
C -3.437465 -5.201998 -1.882786
C 5.388047 5.123914 1.580138
C -1.998600 -7.180424 -1.511187
C 5.656013 3.943400 0.829348
C -3.054335 -6.521988 -2.204736
C -0.565088 2.411310 -1.289173
C -2.796211 -0.445937 0.718845
C -1.344930 1.421325 -0.563890
C -2.004346 0.554625 0.020771
H 1.147457 5.964145 1.248006
H -0.437803 -4.416552 1.443228
H 3.888535 6.574592 2.242836
H -0.478416 -7.055182 0.059106
H 4.834068 2.355980 -0.442547
H -4.247964 -4.693468 -2.413384
H 6.209799 5.622965 2.105227
H -1.730574 -8.204977 -1.791277
H 6.680505 3.557682 0.791107
H -3.578990 -7.054421 -3.005452
H -0.951026 2.589506 -2.305352
H 0.512600 2.157532 -1.335346
H -3.472411 0.002590 1.464195
H -3.370129 -1.098127 0.032359


