%chk=000042999.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042999

0 1
 O   -3.497400      0.8771000      0.2122000    
 O   -3.069400       3.107400      0.2548000    
 N   0.5930000      0.1386000     -0.4168000    
 N  -0.4155000       2.805000     -0.1411000    
 C  -0.7348000      0.4190000     -0.2134000    
 C   -1.683200     -0.7125000     -0.1332000    
 C    1.646500       1.063000     -0.1062000    
 C   -3.033500     -0.4411000      7.8199998E-02
 C   -1.198400       1.681500     -8.4299996E-02
 C    2.981700      0.3757000      3.4000000E-03
 C   -1.320000      -2.063900     -0.2570000    
 C   -4.001200      -1.445800      0.1683000    
 C   -2.642600       1.962200      0.1385000    
 C   -2.276800      -3.083700     -0.1693000    
 C    3.398200     -0.1160000       1.232700    
 C    3.777300      0.2438000      -1.126100    
 C   -3.616900      -2.774800      4.3400001E-02
 C    4.635400     -0.7524000       1.334400    
 C    5.014300     -0.3926000      -1.024400    
 C    5.443300     -0.8906000      0.2059000    
 H    1.476100       1.591000      0.8407000    
 H    1.770900       1.797400     -0.9082000    
 H   0.8513000     -0.7929000     -0.7181000    
 H  -0.2902000      -2.369800     -0.4170000    
 H   -5.045200      -1.196300      0.3339000    
 H   -1.969200      -4.121200     -0.2666000    
 H    2.775600     -1.5900001E-02   2.117300    
 H    3.453000      0.6247000      -2.090500    
 H   -4.356000      -3.567000      0.1111000    
 H   0.3035000       2.863500     -0.8462000    
 H  -0.8538000       3.686900      0.1036000    
 H    4.969200      -1.140900       2.292100    
 H    5.643200     -0.5012000      -1.903300    
 H    6.406300      -1.386500      0.2849000    


%chk=000042999-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042999

0 1
O -3.058558 0.623704 1.039434
O -3.036118 2.923005 1.214448
N 0.479177 0.808302 -1.356655
N -0.806905 3.185835 -0.394301
C -0.677087 0.730783 -0.547256
C -1.305716 -0.551336 -0.242329
C 1.737035 1.449584 -0.863917
C -2.508852 -0.562704 0.524811
C -1.278157 1.910517 -0.084172
C 2.725101 0.439808 -0.286092
C -0.790463 -1.815210 -0.658882
C -3.195009 -1.752583 0.834590
C -2.475200 1.894554 0.760350
C -1.465992 -3.010569 -0.356536
C 2.449799 -0.230066 0.935746
C 3.927365 0.138825 -0.974000
C -2.676554 -2.982666 0.384651
C 3.355894 -1.179789 1.453606
C 4.838300 -0.812000 -0.456706
C 4.554274 -1.474103 0.758872
H 1.452403 2.195029 -0.101591
H 2.214502 1.992729 -1.702009
H 0.650256 -0.007533 -1.950382
H 0.160989 -1.864807 -1.200614
H -4.113705 -1.691294 1.425225
H -1.049247 -3.967879 -0.686298
H 1.522975 -0.007752 1.478612
H 4.155183 0.654728 -1.915657
H -3.202391 -3.913979 0.618345
H -0.240444 3.306870 -1.232131
H -1.364806 3.968770 -0.050148
H 3.132183 -1.686672 2.398865
H 5.765518 -1.031418 -0.997948
H 5.258949 -2.208982 1.163769


