%chk=000177728.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177728

0 1
 O   -3.610600       1.367900      0.4981000    
 O   -4.114600     -0.4478000     -0.8384000    
 N   -1.887300      -1.699800     -0.2200000    
 N    1.827300      -1.752300      0.1335000    
 C   0.4023000     -4.5600001E-02  1.4200000E-02
 C  -0.9292000      0.6194000     -4.4599999E-02
 C   -2.045400     -0.3636000      0.3851000    
 C   0.5057000      -1.415700      0.1110000    
 C  -0.6367000      -2.359400      0.2092000    
 C    1.720700      0.4814000     -3.2699998E-02
 C    2.595500     -0.6094000      4.4799998E-02
 C   -3.373800      0.1517000     -7.0799999E-02
 C    2.262500       1.778300     -0.1350000    
 C    3.987100     -0.4605000      2.7300000E-02
 C    3.652400       1.939400     -0.1535000    
 C    4.499400      0.8360000     -7.3299997E-02
 C   -4.855200       1.980000      0.1451000    
 H  -0.9347000       1.498300      0.6113000    
 H   -1.101800      0.9774000      -1.068000    
 H   -2.078900     -0.4729000       1.476800    
 H  -0.4670000      -3.242100     -0.4167000    
 H  -0.7465000      -2.705300       1.243400    
 H   -1.866800      -1.600800      -1.236300    
 H    2.192900      -2.692000      0.2062000    
 H    1.614800       2.648100     -0.1982000    
 H    4.648500      -1.318300      8.8799998E-02
 H    4.074700       2.937700     -0.2315000    
 H    5.576200      0.9845000     -8.9599997E-02
 H   -4.896100       2.159700     -0.9334000    
 H   -4.921000       2.940200      0.6637000    
 H   -5.691000       1.350200      0.4645000    


%chk=000177728-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177728

0 1
O -3.859318 1.221377 0.738136
O -3.939936 -0.018589 -1.233337
N -1.911606 -1.664346 -0.159310
N 1.882468 -1.784517 0.239214
C 0.448791 -0.036825 -0.090643
C -0.872442 0.676506 -0.246788
C -2.017331 -0.261793 0.294839
C 0.533280 -1.413542 0.109975
C -0.653523 -2.343971 0.222842
C 1.804457 0.480096 -0.104066
C 2.686610 -0.641908 0.108911
C -3.363063 0.284464 -0.163266
C 2.367233 1.773250 -0.268317
C 4.089476 -0.500739 0.155607
C 3.768074 1.920203 -0.220630
C 4.620241 0.796092 -0.011692
C -5.136053 1.873331 0.352273
H -0.885814 1.630879 0.314143
H -1.069351 0.921171 -1.311315
H -1.978016 -0.242074 1.398920
H -0.535585 -3.236091 -0.422701
H -0.743637 -2.721001 1.264437
H -2.146087 -1.750547 -1.156662
H 2.223858 -2.730409 0.395178
H 1.723343 2.645080 -0.431478
H 4.749797 -1.360748 0.315922
H 4.215098 2.912777 -0.346260
H 5.705770 0.942282 0.019734
H -5.021821 2.397650 -0.611376
H -5.347459 2.578883 1.167466
H -5.934056 1.117762 0.261244


