%chk=000053325.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053325

0 1
 I   -3.630500      1.4000000E-03   2.779100    
 N  -0.9667000      1.6000000E-03  0.8186000    
 N    3.063700     -2.3000001E-03 -0.3321000    
 C   0.4000000      3.9999999E-04  0.4282000    
 C    1.067800       1.214400      0.2380000    
 C    1.065400      -1.215000      0.2381000    
 C    2.418100       1.165500     -0.1475000    
 C    2.415800      -1.168800     -0.1474000    
 C   0.4239000       2.450400      0.4223000    
 C   0.4191000      -2.449700      0.4224000    
 C   -2.158000      1.8000000E-03  8.1100002E-02
 C    3.088400       2.370900     -0.3386000    
 C    3.083800      -2.375400     -0.3384000    
 C    1.116600       3.641100      0.2250000    
 C    1.109400      -3.641900      0.2250000    
 C    2.451600       3.600900     -0.1562000    
 C    2.444500      -3.604200     -0.1563000    
 C   -3.418200      1.7000000E-03  0.6943000    
 C   -2.080800      1.8000000E-03  -1.317700    
 C   -4.579800      1.8000000E-03 -7.8000002E-02
 C   -3.242400      1.8000000E-03  -2.089900    
 C   -4.491900      1.7000000E-03  -1.470000    
 H   -1.090100      3.8999999E-03   1.826800    
 H  -0.6178000       2.518000      0.7250000    
 H  -0.6227000      -2.515300      0.7252000    
 H    4.135200       2.365800     -0.6374000    
 H    4.130500      -2.372400     -0.6372000    
 H   0.6174000       4.594400      0.3691000    
 H   0.6084000      -4.594200      0.3692000    
 H    3.001500       4.524300     -0.3126000    
 H    2.992600      -4.528700     -0.3126000    
 H   -1.124200      1.8000000E-03  -1.834000    
 H   -5.565200      1.8000000E-03  0.3812000    
 H   -3.174400      1.8000000E-03  -3.173800    
 H   -5.396200      1.7000000E-03  -2.071500    


%chk=000053325-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053325

0 1
I -3.710628 0.890121 2.633644
N -1.046502 0.424489 0.733042
N 3.116148 0.063499 -0.326681
C 0.310504 0.279206 0.346055
C 1.143288 1.444401 0.313258
C 0.890893 -0.999942 0.066988
C 2.557459 1.272854 -0.005822
C 2.304958 -1.041501 -0.299705
C 0.649645 2.773845 0.557898
C 0.175444 -2.242922 0.184462
C -2.192637 -0.016113 0.045053
C 3.415705 2.428336 -0.007751
C 2.905215 -2.311903 -0.615468
C 1.509627 3.869663 0.540703
C 0.797516 -3.454103 -0.105764
C 2.909374 3.694467 0.267826
C 2.170633 -3.489575 -0.529004
C -3.487294 0.076116 0.639289
C -2.121473 -0.523000 -1.287172
C -4.649243 -0.330643 -0.045749
C -3.278876 -0.938814 -1.969268
C -4.549902 -0.851327 -1.356087
H -1.226230 1.044248 1.530009
H -0.420527 2.932382 0.731688
H -0.866156 -2.232908 0.516879
H 4.472005 2.260934 -0.239140
H 3.960050 -2.302301 -0.906261
H 1.116594 4.875862 0.722373
H 0.239785 -4.391271 -0.003061
H 3.571775 4.566945 0.263128
H 2.639092 -4.451296 -0.765130
H -1.146039 -0.573557 -1.779227
H -5.625570 -0.245793 0.439749
H -3.186636 -1.324125 -2.990346
H -5.453198 -1.173474 -1.883009


