%chk=000012856.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012856

0 1
 S   0.4058000       1.519400     -0.3055000    
 N   0.4339000      -1.012100      0.1871000    
 N   -2.400900       1.100900      0.3886000    
 C    1.944900      0.7577000     -0.1502000    
 C    1.757200     -0.6025000      0.1135000    
 C  -0.3565000      1.5799999E-02 -1.6300000E-02
 C   -1.799200     -3.9000001E-02 -1.3000000E-02
 C    3.226000       1.323000     -0.2542000    
 C    2.893700      -1.423800      0.2784000    
 C    4.333700      0.4882000     -8.6700000E-02
 C    4.172000     -0.8677000      0.1762000    
 C   -2.472800      -1.184500     -0.3968000    
 C   -3.862600      -1.158800     -0.3667000    
 C   -4.522500     -4.6999999E-03  4.0600002E-02
 C   -3.752700       1.088100      0.4050000    
 H    3.359900       2.380700     -0.4593000    
 H    2.778800      -2.484400      0.4841000    
 H    5.334300      0.9057000     -0.1632000    
 H    5.045400      -1.501500      0.3035000    
 H   -1.954000      -2.082200     -0.7166000    
 H   -4.430700      -2.036300     -0.6608000    
 H   -5.605200      3.8100000E-02  7.1699999E-02
 H   -4.218900       2.012300      0.7301000    


%chk=000012856-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012856

0 1
S 0.441769 1.725480 0.048221
N 0.453222 -0.977816 -0.047530
N -2.495845 1.191980 0.024006
C 2.019892 0.835801 0.019271
C 1.801929 -0.583440 -0.031254
C -0.366095 0.058964 -0.012260
C -1.831155 -0.007602 -0.017116
C 3.322293 1.373562 0.040863
C 2.908718 -1.467527 -0.060626
C 4.414224 0.477907 0.010989
C 4.208679 -0.929218 -0.039435
C -2.501863 -1.259489 -0.062162
C -3.911017 -1.266864 -0.064731
C -4.606973 -0.034941 -0.022705
C -3.855971 1.163946 0.021126
H 3.491374 2.453924 0.079691
H 2.730516 -2.546108 -0.099328
H 5.434697 0.875665 0.026988
H 5.074343 -1.599624 -0.061746
H -1.909921 -2.178183 -0.093898
H -4.458822 -2.214300 -0.099030
H -5.700617 0.000829 -0.023597
H -4.353778 2.139452 0.053763


