%chk=000078547.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078547

0 1
 O    1.999600      -1.798400     -0.3254000    
 O    3.864800      0.2096000       1.558700    
 O   -4.985700      0.9996000      0.2060000    
 O   -4.767500      -1.166300      0.4894000    
 N    1.248600      0.4141000     -0.5671000    
 N   -4.277000     -3.4600001E-02  0.2585000    
 C  -0.1471000      0.3008000     -0.3583000    
 C    3.593300     -9.4700001E-02 -0.8166000    
 C    2.190400     -0.6059000     -0.5494000    
 C  -0.9346000       1.438500     -0.4142000    
 C  -0.6945000     -0.9452000     -0.1029000    
 C   -2.877100      7.9099998E-02  4.9899999E-02
 C   -2.309600       1.326800     -0.2087000    
 C   -2.069600      -1.056900      0.1028000    
 C    4.367200      0.2545000      0.4367000    
 C    5.798900      0.6790000      0.2405000    
 H    3.557000      0.7906000      -1.460600    
 H    4.137100     -0.8791000      -1.354700    
 H    1.581300       1.358600     -0.7481000    
 H  -0.5022000       2.414700     -0.6149000    
 H  -0.1384000      -1.869200     -4.8099998E-02
 H   -2.907700       2.233200     -0.2573000    
 H   -2.478300      -2.044600      0.3012000    
 H    6.358400     -0.1290000     -0.2370000    
 H    6.254700      0.8990000       1.209800    
 H    5.832300       1.578900     -0.3786000    


%chk=000078547-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078547

0 1
O 1.932982 -1.999584 -0.954989
O 3.419903 1.840967 0.235708
O -4.906846 1.164162 0.618296
O -4.951293 -1.042382 0.034562
N 1.337365 0.205484 -0.368210
N -4.323559 0.066349 0.257724
C -0.065401 0.108447 -0.225007
C 3.710434 -0.345202 -0.835937
C 2.236501 -0.795842 -0.711153
C -0.757614 1.290208 0.172521
C -0.795131 -1.092620 -0.461334
C -2.857573 0.081696 0.091760
C -2.150176 1.282507 0.331863
C -2.191335 -1.100161 -0.302026
C 4.197166 0.887131 -0.068671
C 5.665929 0.921777 0.298355
H 3.890580 -0.142240 -1.914234
H 4.335041 -1.222254 -0.595129
H 1.784193 1.118219 -0.149163
H -0.194160 2.212312 0.355882
H -0.258984 -1.994278 -0.760703
H -2.698420 2.177521 0.636075
H -2.774321 -2.008173 -0.477175
H 5.854057 0.210129 1.126332
H 5.957552 1.931230 0.625166
H 6.297410 0.597697 -0.548913


