%chk=000117661.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117661

0 1
 O    5.839600       1.100200     -0.1999000    
 O    5.880300      -1.097100     -0.2896000    
 N  -0.8774000     -0.1126000     -0.5098000    
 N  -0.2920000     -0.1476000      0.5981000    
 N   -2.358700       2.290300     -0.2123000    
 N   -6.423200     -0.3177000      0.2478000    
 N    5.262700     -1.2800000E-02 -0.1632000    
 C   -2.269400     -0.1466000     -0.3188000    
 C   -2.997700       1.031200     -0.1729000    
 C   -5.026900     -0.2600000      5.7100002E-02
 C   -4.378800      0.9745000      1.5200000E-02
 C   -2.913100      -1.381000     -0.2778000    
 C   -4.294100      -1.437700     -8.9400001E-02
 C    1.093100     -0.1141000      0.4085000    
 C    3.856400     -4.6900000E-02  2.9899999E-02
 C    1.761600       1.109500      0.3638000    
 C    1.806400      -1.304000      0.2640000    
 C    3.143200       1.143100      0.1743000    
 C    3.187900      -1.270500      7.4900001E-02
 H   -4.951400       1.892700      0.1297000    
 H   -2.351000      -2.304200     -0.3919000    
 H   -4.787500      -2.405800     -5.8800001E-02
 H    1.214300       2.041900      0.4762000    
 H    1.294200      -2.262200      0.2983000    
 H    3.629800       2.114600      0.1449000    
 H    3.710300      -2.217500     -3.3799998E-02
 H   -2.899000       3.138100     -0.1040000    
 H   -1.357400       2.340900     -0.3463000    
 H   -6.893300      -1.212600      0.2776000    
 H   -6.955500      0.5357000      0.3535000    


%chk=000117661-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117661

0 1
O 6.219599 -0.244583 0.933822
O 5.918648 0.478252 -1.212508
N -0.977467 0.185341 -0.217709
N -0.173355 -0.225826 0.754305
N -2.632510 1.075163 -2.167002
N -6.550944 -0.187978 0.457226
N 5.462189 0.087279 -0.063866
C -2.343182 0.064222 0.024260
C -3.212344 0.543620 -1.037123
C -5.176677 -0.095890 0.297455
C -4.618434 0.454129 -0.882344
C -2.934311 -0.484486 1.205916
C -4.313760 -0.569303 1.352116
C 1.210954 -0.110816 0.458014
C 4.003016 0.017678 0.117067
C 2.088629 -0.468467 1.523926
C 1.766518 0.308542 -0.791436
C 3.480831 -0.405085 1.363032
C 3.155204 0.373596 -0.962498
H -5.276584 0.814870 -1.682071
H -2.255939 -0.836178 1.989080
H -4.757054 -0.993198 2.260494
H 1.641093 -0.791262 2.468918
H 1.088252 0.572238 -1.607140
H 4.169337 -0.672441 2.168514
H 3.606836 0.690052 -1.906638
H -3.185223 1.426525 -2.943029
H -1.612587 1.103551 -2.194900
H -6.948837 -0.582910 1.305191
H -7.188498 0.135168 -0.265772


