%chk=000039355.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039355

0 1
 O    3.398300     -0.4206000     -0.3176000    
 N   -2.932800     -0.2575000     -8.2300000E-02
 C  -0.6021000      0.3320000      0.4345000    
 C   -2.057000      0.6058000      0.7092000    
 C  -0.1534000     -0.9798000      0.3744000    
 C   0.2696000       1.395400      0.2466000    
 C    1.194700      -1.233500      0.1213000    
 C    1.617700       1.141900     -6.6000000E-03
 C    2.080300     -0.1726000     -6.9300003E-02
 C   -2.702100     -4.7400001E-02  -1.511100    
 C   -4.334500     -7.4000000E-03  0.2513000    
 C    1.671000      -2.647200      5.7900000E-02
 C    2.550200       2.290900     -0.2083000    
 H   -2.223600      0.4288000       1.779900    
 H   -2.289400       1.663000      0.5217000    
 H  -0.8367000      -1.809300      0.5375000    
 H  -9.4400004E-02   2.418400      0.2975000    
 H   -3.400100     -0.6566000      -2.098000    
 H   -1.704900     -0.3610000      -1.834500    
 H   -2.848600      0.9992000      -1.803800    
 H   -4.989800     -0.6881000     -0.3037000    
 H   -4.637500       1.021900      2.7300000E-02
 H   -4.516700     -0.1968000       1.315100    
 H    2.424800      -2.835900      0.8296000    
 H   0.8540000      -3.357400      0.2272000    
 H    2.089500      -2.870100     -0.9293000    
 H    3.341600       2.275700      0.5483000    
 H    3.003600       2.242400      -1.203900    
 H    2.036200       3.254800     -0.1275000    
 H    3.582300      -1.372300     -0.3329000    


%chk=000039355-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039355

0 1
O 3.516539 -0.397828 -0.186791
N -3.003862 -0.197646 -0.144418
C -0.611563 0.403123 0.329248
C -2.084274 0.715762 0.575618
C -0.158677 -0.936472 0.286908
C 0.337235 1.443851 0.189718
C 1.208608 -1.249140 0.113616
C 1.717350 1.182767 0.021066
C 2.130570 -0.173519 -0.012311
C -2.953489 -0.020558 -1.609312
C -4.381670 -0.139115 0.378845
C 1.694480 -2.688339 0.062911
C 2.737063 2.292529 -0.128273
H -2.306818 0.606565 1.656934
H -2.277374 1.791072 0.321421
H -0.900696 -1.738797 0.373426
H -0.000368 2.488524 0.210126
H -3.573592 -0.792922 -2.098828
H -1.914497 -0.136635 -1.961320
H -3.322196 0.984044 -1.940902
H -5.003972 -0.896998 -0.130558
H -4.874283 0.857389 0.236455
H -4.381024 -0.366737 1.460269
H 2.414631 -2.918097 0.875217
H 0.848563 -3.385325 0.179423
H 2.183708 -2.934222 -0.902246
H 3.503202 2.239426 0.667191
H 3.281622 2.208165 -1.086851
H 2.253269 3.283281 -0.084571
H 3.711716 -1.367446 -0.201512


