%chk=000077992.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077992

0 1
 O   -5.056500     -0.8855000     -1.8400000E-02
 N   0.4157000       2.349500     -0.1017000    
 N    4.271500      -1.673000      0.1880000    
 N   -3.509600      -2.569200      0.1576000    
 C    3.353500     -0.6066000     -0.2097000    
 C    1.901400     -0.9759000      0.1831000    
 C    3.794000      0.7335000      0.4263000    
 C   0.9981000      0.2053000      6.0800001E-02
 C    2.905200       1.908400     -2.7700000E-02
 C    1.477700       1.496200     -1.2100000E-02
 C  -0.4230000      0.2768000      2.3100000E-02
 C  -0.7607000       1.630800     -8.0600001E-02
 C   -1.459700     -0.6772000      6.8999998E-02
 C   -2.086700       2.074000     -0.1441000    
 C   -2.789800     -0.2464000      6.8999999E-03
 C    3.928200      -2.922000     -0.4740000    
 C   -3.096200       1.108500     -9.8600000E-02
 C   -3.863200      -1.227400      5.1899999E-02
 H    3.407400     -0.4767000      -1.300100    
 H    1.861100      -1.331500       1.221100    
 H    1.517000      -1.776000     -0.4601000    
 H    4.837200      0.9573000      0.1712000    
 H    3.746000      0.6502000       1.520900    
 H    3.181600       2.201300      -1.047700    
 H    3.072200       2.772900      0.6239000    
 H   0.4778000       3.355800     -0.1746000    
 H    4.245400      -1.802800       1.198800    
 H   -1.159900      -1.713300      0.1505000    
 H   -2.326900       3.129000     -0.2250000    
 H    3.017100      -3.375600     -7.2600000E-02
 H    4.737100      -3.641100     -0.3070000    
 H    3.830100      -2.799400      -1.557900    
 H   -4.128500       1.447600     -0.1472000    
 H   -2.568800      -2.936100      0.2162000    
 H   -4.240800      -3.273100      0.1837000    


%chk=000077992-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077992

0 1
O -5.229139 -0.773298 0.023913
N 0.390175 2.394942 -0.135741
N 4.364018 -1.670110 0.154726
N -3.768021 -2.551664 0.184403
C 3.359483 -0.635797 -0.177260
C 1.893471 -0.997228 0.238787
C 3.788825 0.710375 0.461196
C 0.984719 0.200336 0.095708
C 2.921951 1.901881 -0.026598
C 1.472622 1.501439 -0.015075
C -0.463711 0.281637 0.043561
C -0.808593 1.676173 -0.102162
C -1.502119 -0.678456 0.104061
C -2.148959 2.112093 -0.180981
C -2.850903 -0.254498 0.022585
C 4.234730 -2.963252 -0.542408
C -3.157199 1.135616 -0.116971
C -4.028203 -1.191285 0.075927
H 3.378054 -0.511596 -1.280642
H 1.906281 -1.358429 1.290705
H 1.527989 -1.842665 -0.377508
H 4.851730 0.886884 0.218627
H 3.708199 0.626088 1.564958
H 3.234189 2.193458 -1.051565
H 3.101813 2.785658 0.618482
H 0.470439 3.405411 -0.229115
H 4.463336 -1.783063 1.173304
H -1.234041 -1.735945 0.218854
H -2.404154 3.171942 -0.289247
H 3.294254 -3.528632 -0.335224
H 5.085625 -3.612949 -0.268749
H 4.286024 -2.793046 -1.634095
H -4.215185 1.410399 -0.172641
H -2.831925 -2.946071 0.219595
H -4.570773 -3.178048 0.220488


