%chk=000076647.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076647

0 1
 O   1.7200001E-02  -2.249600      0.2456000    
 O   -3.516300       1.741800     -0.1136000    
 N    2.039000     -0.6194000      0.5035000    
 N   -1.675400       3.576000      0.1270000    
 C  -0.3148000      9.7000003E-02  0.2379000    
 C   -1.238400       1.140300      0.1444000    
 C    1.046200      0.3820000      0.4009000    
 C   -2.201500      -1.595200     -6.5000001E-03
 C   -3.125000     -0.5519000     -0.1000000    
 C  -0.8010000       2.468400      0.2140000    
 C  -0.7626000      -1.308800      0.1659000    
 C   -2.677300      0.8539000     -2.7899999E-02
 C    1.477800       1.706900      0.4697000    
 C   0.5561000       2.747900      0.3764000    
 C   -2.638800      -2.923300     -7.6600000E-02
 C   -4.486000     -0.8367000     -0.2636000    
 C    3.397200     -0.6518000      0.1412000    
 C   -3.996000      -3.202700     -0.2395000    
 C   -4.917600      -2.161700     -0.3328000    
 C   -1.275200       4.836800     -0.4120000    
 C    4.296400      -1.444800      0.8586000    
 C    3.854000      0.1092000     -0.9377000    
 C    5.643900      -1.476300      0.4995000    
 C    5.201500      7.7600002E-02  -1.296700    
 C    6.096400     -0.7153000     -0.5780000    
 H    2.521000       1.965600      0.6299000    
 H   0.9346000       3.762900      0.4543000    
 H    1.720100      -1.464100      0.9685000    
 H   -1.942300      -3.754600     -6.8000001E-03
 H   -5.226400     -4.4900000E-02 -0.3394000    
 H   -2.669100       3.388800      0.1871000    
 H   -4.334700      -4.233300     -0.2938000    
 H   -5.973700      -2.382000     -0.4598000    
 H  -0.7729000       4.723900      -1.378600    
 H  -0.6222000       5.382300      0.2765000    
 H   -2.159200       5.462300     -0.5750000    
 H    3.956800      -2.042200       1.701100    
 H    3.177100      0.7160000      -1.532900    
 H    6.340700      -2.093700       1.058900    
 H    5.553200      0.6654000      -2.139500    
 H    7.145300     -0.7410000     -0.8585000    


%chk=000076647-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076647

0 1
O 0.077409 -2.316161 0.262212
O -3.612609 1.795876 -0.192020
N 2.018876 -0.659764 0.180762
N -1.736075 3.549792 -0.149108
C -0.313518 0.071141 0.063449
C -1.282804 1.143517 -0.025682
C 1.097398 0.372991 0.100585
C -2.209004 -1.617543 0.039236
C -3.158874 -0.560920 -0.069477
C -0.836125 2.517485 -0.049957
C -0.760712 -1.325853 0.126299
C -2.716951 0.853335 -0.097515
C 1.503138 1.752740 0.125060
C 0.576549 2.780901 0.055841
C -2.655843 -2.964757 0.070451
C -4.542908 -0.865936 -0.146201
C 3.425966 -0.620262 0.017967
C -4.029167 -3.257566 -0.008848
C -4.976616 -2.203764 -0.117403
C -1.378618 4.965972 -0.171118
C 4.197593 -1.575508 0.738317
C 4.086999 0.260135 -0.884566
C 5.595920 -1.634173 0.574890
C 5.489000 0.199841 -1.032143
C 6.254063 -0.740177 -0.303071
H 2.562509 1.992463 0.246558
H 0.926409 3.816390 0.100485
H 1.539491 -1.592161 0.308178
H -1.903139 -3.753975 0.157068
H -5.247793 -0.033062 -0.227221
H -2.729290 3.224119 -0.198533
H -4.369933 -4.298414 0.013333
H -6.045759 -2.434692 -0.178207
H -0.705000 5.212500 -1.015888
H -0.885490 5.289129 0.767836
H -2.299989 5.558072 -0.289341
H 3.689744 -2.258998 1.428086
H 3.505508 0.949701 -1.504145
H 6.173779 -2.375076 1.138429
H 5.982679 0.878359 -1.737075
H 7.341287 -0.783998 -0.425823


