%chk=000039587.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039587

0 1
 O   2.4200000E-02  -1.836700     -0.8220000    
 O    2.167100       1.632100       1.202000    
 N   -1.306800     -8.7300003E-02 -0.1367000    
 N    1.092200      4.7800001E-02 -5.2400000E-02
 N    1.081400       1.064000       1.042000    
 C   -1.507400       1.357800     -0.2275000    
 C   -2.492700     -0.8603000      0.2077000    
 C  -5.8699999E-02 -0.6882000     -0.3653000    
 C    2.336200     -0.1557000     -0.7854000    
 C   -1.896600       1.776800      -1.630200    
 C   -2.631400      -1.025200       1.707100    
 C    3.192400      -1.225200     -0.1393000    
 H   -2.284500       1.654700      0.4860000    
 H  -0.6321000       1.952000      4.9999999E-03
 H   -3.381800     -0.3832000     -0.2181000    
 H   -2.406600      -1.854200     -0.2449000    
 H    2.078800     -0.4819000      -1.800600    
 H    2.884200      0.7866000     -0.8902000    
 H   -1.113200       1.516100      -2.349900    
 H   -2.820100       1.284300      -1.951400    
 H   -2.056600       2.858600      -1.676900    
 H   -1.754500      -1.526100       2.130700    
 H   -2.733400     -5.6100000E-02   2.206300    
 H   -3.515200      -1.625100       1.944700    
 H    3.478300     -0.9418000      0.8788000    
 H    2.662700      -2.181500     -8.0799997E-02
 H    4.108100      -1.380100     -0.7184000    


%chk=000039587-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039587

0 1
O 0.072924 -1.871534 -0.344246
O 2.426817 1.799951 0.731095
N -1.280626 0.000146 0.008042
N 1.145449 0.198341 -0.203196
N 1.259534 1.270498 0.697036
C -1.566983 1.458101 -0.086938
C -2.464048 -0.894380 0.151973
C -0.064751 -0.620341 -0.176842
C 2.336240 -0.319584 -0.936305
C -1.874240 1.900207 -1.533496
C -2.789138 -1.190622 1.630077
C 3.244494 -1.203218 -0.055386
H -2.436085 1.657981 0.566961
H -0.720652 2.022484 0.327179
H -3.318812 -0.398079 -0.343195
H -2.251880 -1.833648 -0.384453
H 1.954031 -0.894192 -1.794278
H 2.889860 0.565857 -1.296301
H -0.995497 1.746575 -2.185139
H -2.722791 1.336497 -1.962463
H -2.132518 2.974902 -1.553218
H -1.952478 -1.729164 2.107174
H -2.973757 -0.260786 2.198433
H -3.693016 -1.823073 1.701953
H 3.624543 -0.639863 0.813159
H 2.686129 -2.087045 0.292902
H 4.111250 -1.543808 -0.650230


