%chk=000056865.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056865

0 1
 O   0.1194000       1.137900       1.874800    
 O    1.151700       2.329800      0.1976000    
 N   -4.326300      0.2109000     -0.6141000    
 C    2.020000      0.1401000      0.8515000    
 C    3.198700      0.3603000     -8.8200003E-02
 C    1.331600      -1.194700      0.5991000    
 C   -4.501200     -0.5123000      0.6472000    
 C   -5.495300      1.9099999E-02  -1.474700    
 C    1.064200       1.328200      0.8968000    
 C   -4.097800       1.628600     -0.3660000    
 C    3.077300     -2.0000000E-02  -1.408400    
 C    1.888000      -2.341300       1.127100    
 C    4.349700      0.9334000      0.4108000    
 C   0.1727000      -1.215700     -0.1490000    
 C   -4.740300      -1.992500      0.4028000    
 C   -5.307700      0.7060000      -2.816700    
 C    4.156400      0.1818000      -2.269000    
 C    1.257400      -3.563900      0.8963000    
 C    5.428800       1.135200     -0.4500000    
 C  -0.4579000      -2.438400     -0.3795000    
 C    5.332100      0.7594000      -1.789800    
 C   8.4600002E-02  -3.612400      0.1431000    
 C  -0.8066000       2.198900       2.061800    
 C   -2.928300       1.827200      0.4952000    
 C   -1.971000       1.994500       1.201000    
 H    2.429300      9.0499997E-02   1.873500    
 H   -3.596000     -0.4515000       1.261400    
 H   -5.328600     -0.1028000       1.240900    
 H   -5.635600      -1.039800      -1.713800    
 H   -6.417800      0.3764000     -0.9997000    
 H   -4.976300       2.102800      9.0200000E-02
 H   -3.883400       2.165700      -1.296000    
 H    2.173100     -0.4492000      -1.823700    
 H    2.801100      -2.312600       1.713900    
 H    4.433500       1.231900       1.451300    
 H  -0.2619000     -0.3210000     -0.5828000    
 H   -5.756500      -2.202100      5.5000000E-02
 H   -4.022500      -2.410200     -0.3114000    
 H   -4.617200      -2.541800       1.343400    
 H   -5.412100       1.793200      -2.748700    
 H   -4.335500      0.4686000      -3.262100    
 H   -6.078900      0.3625000      -3.515600    
 H    4.079700     -0.1056000      -3.313600    
 H    1.679800      -4.478200       1.302800    
 H    6.343900       1.586000     -7.7200003E-02
 H   -1.369000      -2.476700     -0.9695000    
 H    6.171700      0.9180000      -2.460200    
 H  -0.4061000      -4.564400     -3.7400000E-02
 H  -0.3443000       3.178400       1.894700    
 H   -1.114500       2.176100       3.112500    


%chk=000056865-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056865

0 1
O 0.249713 1.835684 1.349551
O 0.978976 2.122643 -0.850376
N -4.433253 0.057338 -0.103475
C 1.726780 0.147848 0.484441
C 3.213655 0.281468 0.149263
C 1.000165 -1.013251 -0.241149
C -4.608177 -0.201911 1.356805
C -5.536565 -0.515857 -0.926416
C 0.984144 1.462970 0.208095
C -4.269113 1.516461 -0.380560
C 3.649287 0.595646 -1.164314
C 1.722929 -2.130431 -0.727271
C 4.181686 0.085285 1.164373
C -0.414186 -1.011032 -0.358675
C -4.355282 -1.669039 1.747551
C -5.191115 -0.629976 -2.423672
C 5.026504 0.713224 -1.449624
C 1.045976 -3.220095 -1.321469
C 5.562165 0.199622 0.879197
C -1.089757 -2.096302 -0.957552
C 5.988635 0.514785 -0.430635
C -0.362393 -3.208021 -1.440977
C -0.689907 2.998279 1.166959
C -3.031241 2.071741 0.197249
C -1.978805 2.529294 0.648978
H 1.632206 -0.037150 1.571116
H -3.875848 0.433813 1.886862
H -5.625522 0.116939 1.702866
H -5.739488 -1.529198 -0.538602
H -6.483804 0.070756 -0.798387
H -5.144963 2.108690 -0.004608
H -4.236642 1.656759 -1.476003
H 2.906515 0.759159 -1.951569
H 2.814908 -2.148001 -0.648262
H 3.854681 -0.158235 2.182988
H -1.004388 -0.165718 0.012417
H -5.094129 -2.361166 1.304740
H -3.348552 -1.981681 1.420012
H -4.416240 -1.781474 2.845813
H -5.079611 0.354384 -2.913075
H -4.245201 -1.184211 -2.554468
H -5.993406 -1.171820 -2.957573
H 5.350103 0.960974 -2.466886
H 1.621145 -4.076386 -1.692138
H 6.298447 0.044141 1.675805
H -2.182146 -2.057522 -1.041066
H 7.057342 0.605811 -0.655540
H -0.884372 -4.051936 -1.906344
H -0.222702 3.722836 0.475267
H -0.773055 3.428165 2.177938


