%chk=000054862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054862

0 1
 S   0.7381000      -2.266200       1.188600    
 N   -1.268700       2.961200       1.451200    
 C   1.5000000E-03   1.000500      0.6930000    
 C   -1.200500      0.3312000      3.7200000E-02
 C    1.301400      0.4053000      0.1583000    
 C  -0.1024000       2.539500      0.7015000    
 C   -1.614000     -0.9348000      0.5013000    
 C    1.656300     -0.9533000      0.3542000    
 C  -0.8912000      -1.599700       1.638400    
 C   -1.865700      0.8959000      -1.063400    
 C    2.192300       1.225300     -0.5706000    
 C   -2.691600      -1.587900     -0.1176000    
 C    2.887300      -1.416400     -0.1651000    
 C   -2.938300      0.2382000      -1.667800    
 C   -3.353500      -1.000900      -1.193300    
 C    3.399400      0.7422000      -1.075900    
 C    3.749600     -0.5803000     -0.8701000    
 H   9.8999999E-03  0.7598000       1.763600    
 H  -0.1414000       2.966900     -0.3055000    
 H   0.7833000       2.966900       1.188300    
 H  -0.8122000     -0.9408000       2.508700    
 H   -1.481500      -2.451800       1.997000    
 H   -1.556600       1.848000      -1.483700    
 H    1.963100       2.268800     -0.7681000    
 H   -3.018300      -2.564100      0.2322000    
 H    3.194800      -2.453200     -3.0900000E-02
 H   -3.443400      0.6919000      -2.515700    
 H   -4.185200      -1.514500      -1.666300    
 H   -1.291400       3.978700       1.503900    
 H   -1.206300       2.627600       2.412200    
 H    4.059800       1.402700      -1.629700    
 H    4.686900     -0.9660000      -1.259000    


%chk=000054862-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054862

0 1
S 0.896402 -1.954383 1.767865
N -1.210748 3.053254 1.624805
C 0.004572 1.038103 0.842782
C -1.170331 0.367782 0.112222
C 1.285436 0.463653 0.216674
C -0.034968 2.583288 0.875809
C -1.558895 -0.950222 0.499251
C 1.688163 -0.871658 0.505547
C -1.001360 -1.576271 1.750092
C -1.789121 0.955473 -1.015238
C 2.054125 1.200019 -0.720075
C -2.522858 -1.653033 -0.266291
C 2.822738 -1.436740 -0.127608
C -2.764951 0.258552 -1.760153
C -3.128755 -1.056593 -1.392582
C 3.200112 0.650409 -1.335122
C 3.587887 -0.674497 -1.035584
H -0.007115 0.705087 1.902185
H -0.104177 2.995905 -0.148127
H 0.941498 2.934083 1.289452
H -1.175785 -0.944976 2.637095
H -1.447724 -2.568082 1.926834
H -1.515735 1.971751 -1.316433
H 1.757480 2.223426 -0.972541
H -2.804607 -2.670490 0.030648
H 3.098890 -2.473797 0.091765
H -3.236149 0.737311 -2.626031
H -3.877908 -1.607495 -1.971787
H -1.424786 4.047623 1.520273
H -1.247837 2.743780 2.600172
H 3.779930 1.248689 -2.046421
H 4.468078 -1.119251 -1.512576


