%chk=000086428.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086428

0 1
 O   0.5714000      0.5504000      -1.798400    
 N   -3.349200      0.6389000      8.6300001E-02
 N   -6.231000      -1.717700      0.2645000    
 C   -1.201400       1.821600      7.1999997E-02
 C   -1.916300      0.4909000      0.3153000    
 C   0.3097000       1.718900      0.2969000    
 C   -4.045300     -0.6174000      0.3243000    
 C    1.000800      0.7652000     -0.6673000    
 C   -5.536000     -0.4542000      4.3299999E-02
 C    2.253400      8.7499999E-02 -0.2266000    
 C    3.072700      0.7330000      0.6723000    
 C    2.544300      -1.158900     -0.7344000    
 C    4.244600      9.8899998E-02   1.085100    
 C    3.716200      -1.793000     -0.3215000    
 C    4.566200      -1.164000      0.5881000    
 H   -1.395600       2.165700     -0.9519000    
 H   -1.605300       2.585900      0.7477000    
 H   -1.733200      0.1721000       1.348700    
 H   -1.514300     -0.2820000     -0.3491000    
 H   0.4835000       1.392300       1.328400    
 H   0.7606000       2.709000      0.1666000    
 H   -3.513600      0.9498000     -0.8708000    
 H   -3.902100     -0.9312000       1.365900    
 H   -3.637000      -1.404700     -0.3223000    
 H   -5.697400     -0.1401000     -0.9941000    
 H   -5.966900      0.3145000      0.6950000    
 H    2.854000       1.722200       1.060900    
 H    1.888900      -1.662100      -1.438700    
 H   -7.231100      -1.582300      0.1227000    
 H   -6.116900      -2.007000       1.235200    
 H    4.908600      0.5899000       1.790400    
 H    3.966300      -2.777000     -0.7074000    
 H    5.479000      -1.657500      0.9090000    


%chk=000086428-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086428

0 1
O 0.494413 -0.175700 -1.566986
N -3.481951 0.500992 -0.013519
N -6.805820 -1.245603 0.468149
C -1.203889 1.485477 -0.022725
C -2.082115 0.298260 0.422024
C 0.278796 1.311075 0.358334
C -4.425670 -0.550761 0.426678
C 1.037547 0.320188 -0.535599
C -5.867346 -0.204801 0.002183
C 2.457411 -0.034384 -0.180608
C 3.130845 0.527277 0.938251
C 3.147697 -0.963992 -1.006130
C 4.465493 0.167064 1.222898
C 4.478538 -1.325554 -0.720257
C 5.141872 -0.760108 0.396189
H -1.277592 1.594919 -1.122229
H -1.606818 2.409435 0.431630
H -2.079375 0.231773 1.529594
H -1.641065 -0.651916 0.035001
H 0.371737 0.992677 1.416735
H 0.807158 2.285327 0.292559
H -3.524379 0.627936 -1.036122
H -4.376756 -0.606364 1.534230
H -4.180122 -1.569282 0.041954
H -5.917984 -0.175372 -1.104755
H -6.094804 0.824762 0.364629
H 2.621791 1.246661 1.587864
H 2.612580 -1.383797 -1.864518
H -7.720281 -1.234778 0.008800
H -6.889052 -1.305853 1.487628
H 4.978071 0.605773 2.085997
H 5.001131 -2.043776 -1.361429
H 6.177541 -1.039955 0.619652


