%chk=000063390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063390

0 1
 O    1.676400       2.887700       1.961800    
 N  -0.4837000     -0.1836000      0.3586000    
 N    1.242900      0.6396000       1.847000    
 N   -3.595000      -2.251100      0.3129000    
 C   0.6991000     -0.5178000       1.153300    
 C   -1.383500      -1.263900     -2.5699999E-02
 C  -0.5990000       1.086500     -0.1946000    
 C   -2.700300      -1.180100      0.7322000    
 C    1.751400      -1.124300      0.2794000    
 C   0.1803000       2.156200      0.2882000    
 C    1.102900       1.943700       1.427500    
 C   -1.493600       1.378000      -1.241800    
 C   8.0799997E-02   3.445100     -0.2576000    
 C    1.890400     -0.6940000      -1.037700    
 C    2.586900      -2.115700      0.7874000    
 C   -1.594700       2.660600      -1.790100    
 C  -0.8058000       3.692900      -1.299700    
 C   -3.848700      -2.177800      -1.127400    
 C   -4.856600      -2.189800       1.053500    
 C    2.871500      -1.259100      -1.852400    
 C    3.568000      -2.680700     -2.7500000E-02
 C    3.710200      -2.252300      -1.347300    
 H   0.4063000      -1.226900       1.937800    
 H   -1.478100      -1.280700      -1.114200    
 H  -0.9191000      -2.230100      0.2186000    
 H   -2.491700      -1.270000       1.806500    
 H   -3.169800     -0.1986000      0.5875000    
 H    1.853700      0.4668000       2.639900    
 H   -2.142300      0.6192000      -1.669500    
 H   0.6838000       4.266700      0.1198000    
 H    1.287200      8.1600003E-02  -1.489100    
 H    2.487300      -2.456800       1.814200    
 H   -2.293400       2.848800      -2.600200    
 H  -0.8847000       4.689200      -1.724000    
 H   -4.140200      -1.172700      -1.453100    
 H   -4.660800      -2.861200      -1.405600    
 H   -2.990700      -2.518900      -1.714000    
 H   -4.674300      -2.268500       2.131100    
 H   -5.403300      -1.259100      0.8625000    
 H   -5.503300      -3.032500      0.7844000    
 H    2.985600     -0.9236000      -2.879200    
 H    4.221700      -3.453700      0.3658000    
 H    4.474900      -2.691600      -1.981300    


%chk=000063390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063390

0 1
O 1.794661 3.093118 1.809193
N -0.483169 -0.013453 0.253037
N 1.208046 0.850923 1.754489
N -3.536749 -2.298160 0.245868
C 0.694658 -0.356797 1.086238
C -1.343800 -1.147812 -0.129892
C -0.629945 1.255441 -0.318814
C -2.693731 -1.143927 0.631936
C 1.786480 -1.100034 0.288047
C 0.185286 2.345506 0.135522
C 1.128316 2.155303 1.266576
C -1.594706 1.520994 -1.338129
C 0.052374 3.630937 -0.436638
C 2.505656 -0.449799 -0.748002
C 2.071063 -2.454198 0.583848
C -1.706273 2.808679 -1.896945
C -0.882075 3.875846 -1.460226
C -4.194603 -2.121392 -1.066385
C -4.508910 -2.673243 1.294731
C 3.489034 -1.151015 -1.476113
C 3.058572 -3.158679 -0.143941
C 3.768571 -2.507193 -1.176650
H 0.340015 -1.051862 1.876229
H -1.504557 -1.150663 -1.223926
H -0.818831 -2.091225 0.097400
H -2.476543 -1.217620 1.714027
H -3.212244 -0.165448 0.475123
H 1.873896 0.710788 2.518524
H -2.254889 0.728420 -1.700321
H 0.695300 4.423127 -0.037829
H 2.298352 0.600875 -0.980767
H 1.521446 -2.960738 1.389052
H -2.449127 2.980749 -2.684772
H -0.980457 4.872071 -1.902052
H -4.925528 -1.272811 -1.076631
H -4.738084 -3.044833 -1.334065
H -3.445044 -1.937567 -1.855318
H -3.977124 -2.880516 2.240148
H -5.277583 -1.884471 1.494406
H -5.039492 -3.594520 0.993636
H 4.042234 -0.643143 -2.273912
H 3.272517 -4.206627 0.093654
H 4.535684 -3.047530 -1.742455


