%chk=000036333.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036333

0 1
 O    1.450200      2.1400001E-02   1.489800    
 N   0.4296000     -2.7999999E-03 -0.6243000    
 C  -0.9507000     -1.7000000E-03 -0.3119000    
 C    2.824000     -3.3000000E-03 -0.4915000    
 C   -1.614900       1.206700     -0.1637000    
 C   -1.615500      -1.209200     -0.1587000    
 C    4.054200     -2.0999999E-03  0.4134000    
 C    1.500900     -1.5000000E-03  0.2646000    
 C   -2.975200       1.207900      0.1449000    
 C   -2.975900      -1.208200      0.1498000    
 C  -0.9136000       2.516600     -0.3254000    
 C  -0.9151000      -2.520100     -0.3152000    
 C   -3.655600      3.9999999E-04  0.3017000    
 C    5.357500     -4.3000001E-03 -0.3734000    
 H    2.844200     -0.8907000      -1.136200    
 H    2.843600      0.8809000      -1.140500    
 H    4.030900      0.8787000       1.066400    
 H    4.029700     -0.8799000       1.070200    
 H   0.6347000     -0.1263000      -1.613500    
 H   -3.520300       2.140100      0.2677000    
 H   -3.521600      -2.139500      0.2763000    
 H  -0.4208000       2.572400      -1.301800    
 H   -1.608900       3.361300     -0.2676000    
 H  -0.1674000       2.649800      0.4647000    
 H  -0.1620000      -2.646400      0.4694000    
 H   -1.609300      -3.364500     -0.2438000    
 H  -0.4309000      -2.583900      -1.295400    
 H   -4.714700      1.2000001E-03  0.5424000    
 H    5.428900     -0.8932000      -1.008200    
 H    6.212900     -3.1999999E-03  0.3093000    
 H    5.429700      0.8817000      -1.012100    


%chk=000036333-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036333

0 1
O 1.380705 1.140283 1.080793
N 0.436812 -0.101327 -0.668836
C -0.950872 -0.050347 -0.286856
C 2.880574 0.246576 -0.647904
C -1.614504 1.197169 -0.099938
C -1.645134 -1.290989 -0.154902
C 3.980530 -0.085665 0.388125
C 1.513719 0.472347 0.013993
C -2.986191 1.171256 0.258842
C -3.017053 -1.268816 0.185921
C -0.908118 2.520892 -0.301270
C -0.922680 -2.611597 -0.360547
C -3.686028 -0.044383 0.403388
C 5.386748 -0.127115 -0.244047
H 2.829653 -0.543460 -1.424218
H 3.155750 1.185748 -1.170199
H 3.936561 0.674718 1.188646
H 3.752194 -1.058126 0.866895
H 0.676189 -0.736389 -1.434374
H -3.507950 2.123366 0.410677
H -3.556613 -2.216983 0.293933
H -0.280678 2.507274 -1.212151
H -1.635866 3.345115 -0.391844
H -0.229794 2.730387 0.545749
H -0.009274 -2.672546 0.260035
H -1.575495 -3.458855 -0.092239
H -0.613058 -2.763307 -1.415123
H -4.746959 -0.038745 0.676695
H 5.449154 -0.887168 -1.046226
H 6.154822 -0.372667 0.511611
H 5.651456 0.851657 -0.687230


