%chk=000018944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018944

0 1
 O    2.338500      0.2744000     -6.2700003E-02
 O    5.808400     -4.7499999E-02 -0.3256000    
 O    4.464400       1.655600     -0.6879000    
 O   -4.707800      -1.719000     -0.6881000    
 N    4.644200      0.4486000     -0.3513000    
 N   -2.781100      0.1462000     -8.7800004E-02
 N   -4.101200      0.4076000      1.9400001E-02
 N   -6.316000     -0.1728000     -0.1427000    
 C    1.431000     -0.6539000      0.3032000    
 C    2.016400      -1.850600      0.5946000    
 C   3.1399999E-02 -0.3496000      0.3580000    
 C    3.547400     -0.3431000     -5.5999998E-03
 C    3.403000      -1.651500      0.3935000    
 C  -0.4743000      0.8650000      9.8600000E-02
 C   -1.945900       1.096900      0.2172000    
 C   -2.351100       2.483100      0.6706000    
 C   -5.007300     -0.5895000     -0.3032000    
 H    1.526600      -2.760600      0.9123000    
 H  -0.6307000      -1.163600      0.6432000    
 H    4.193800      -2.376500      0.5252000    
 H   0.1460000       1.715300     -0.1626000    
 H   -1.475300       3.102400      0.8846000    
 H   -2.947500       2.412700       1.584900    
 H   -2.934200       2.971900     -0.1152000    
 H   -4.407700       1.321800      0.3291000    
 H   -7.093600     -0.7936000     -0.3400000    
 H   -6.540300      0.7638000      0.1762000    


%chk=000018944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018944

0 1
O 2.328903 0.292659 0.183233
O 5.895254 -0.091417 0.182070
O 4.584935 1.803445 0.258515
O -4.735547 -1.857791 0.071676
N 4.743862 0.518447 0.204060
N -2.794529 0.159467 0.153213
N -4.136183 0.433817 0.159648
N -6.388557 -0.209988 0.114983
C 1.382234 -0.762554 0.133970
C 2.072107 -1.990613 0.085140
C -0.013040 -0.439229 0.141196
C 3.587988 -0.319473 0.163134
C 3.470833 -1.708033 0.103802
C -0.514579 0.845319 0.193637
C -1.936335 1.179072 0.201197
C -2.358395 2.639840 0.262402
C -5.065208 -0.648954 0.110599
H 1.603016 -2.971372 0.041067
H -0.713119 -1.281158 0.102095
H 4.300783 -2.408969 0.077989
H 0.189101 1.685490 0.232528
H -1.478884 3.300998 0.283799
H -2.955336 2.856953 1.171585
H -2.965549 2.929662 -0.619385
H -4.485825 1.401300 0.202018
H -7.106105 -0.930249 0.086958
H -6.674724 0.766831 0.136773


