%chk=000096593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096593

0 1
 O    2.408700      -2.394400      0.1123000    
 O    2.408500       2.394700      0.1125000    
 O    3.790900      6.0000003E-04 -4.9400002E-02
 N   -2.528900       1.166500     -4.6000001E-03
 N   -2.529100      -1.166800     -4.1999999E-03
 C   -1.847600     -1.9999999E-04  0.6109000    
 C   -2.645400      0.7653000      -1.424500    
 C   -2.645500     -0.7659000      -1.424200    
 C   -3.872800       1.275300      0.6120000    
 C   -3.873100      -1.275100      0.6123000    
 C   -4.717600      9.9999997E-05  0.4602000    
 C  -0.3255000      9.9999997E-05  0.4323000    
 C   0.3584000       1.208100      0.3519000    
 C   0.3588000      -1.207900      0.3515000    
 C    1.744000      -1.207800      0.1885000    
 C    1.743800       1.208100      0.1887000    
 C    2.436500      3.0000001E-04  0.1070000    
 C    2.578400      -2.960200      -1.185900    
 C    2.578000       2.960500      -1.185700    
 C    4.579500     -1.1000000E-03   1.138300    
 H   -1.978700       0.000000       1.703700    
 H   -1.772800       1.137300      -1.974700    
 H   -3.532200       1.186700      -1.911600    
 H   -3.532300      -1.187300      -1.911200    
 H   -1.772900      -1.138100      -1.974200    
 H   -4.409700       2.128100      0.1792000    
 H   -3.753100       1.510000       1.677600    
 H   -3.753500      -1.509700       1.677900    
 H   -4.410200      -2.128000      0.1798000    
 H   -5.529000      1.9999999E-04   1.196900    
 H   -5.197100       0.000000     -0.5268000    
 H  -0.1608000       2.159400      0.4287000    
 H  -0.1603000      -2.159400      0.4281000    
 H    1.605900      -3.174000      -1.640800    
 H    3.129700      -3.898600      -1.081300    
 H    3.153700      -2.285800      -1.828000    
 H    1.605600       3.174200      -1.640600    
 H    3.153300       2.286200      -1.827900    
 H    3.129300       3.898900      -1.081100    
 H    4.379800      0.8946000       1.734800    
 H    5.633900       0.000000      0.8491000    
 H    4.380800     -0.8993000       1.731600    


%chk=000096593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096593

0 1
O 2.286561 -2.472346 0.000790
O 2.284655 2.475822 -0.000544
O 3.752284 0.002086 -0.215405
N -2.682695 1.193233 0.065483
N -2.681915 -1.193315 0.066990
C -1.966206 0.000563 0.646676
C -2.812564 0.794978 -1.381389
C -2.812010 -0.796971 -1.380382
C -4.027007 1.286438 0.735691
C -4.026183 -1.286528 0.737298
C -4.893272 -0.000430 0.564111
C -0.471190 0.000861 0.329602
C 0.226419 1.224621 0.214657
C 0.227168 -1.222591 0.215686
C 1.623520 -1.225317 0.010980
C 1.622862 1.228243 0.010163
C 2.338826 0.001636 -0.073019
C 3.082696 -2.772571 -1.209848
C 3.082827 2.775601 -1.209923
C 4.451106 -0.004794 1.092110
H -2.098057 0.001197 1.744858
H -1.941278 1.178995 -1.938011
H -3.727390 1.232185 -1.815691
H -3.726516 -1.235361 -1.814164
H -1.940437 -1.181080 -1.936495
H -4.559719 2.166128 0.332413
H -3.837542 1.483896 1.807914
H -3.836610 -1.482538 1.809768
H -4.558325 -2.167060 0.335105
H -5.727680 -0.000243 1.292099
H -5.354252 -0.001206 -0.442865
H -0.315425 2.172052 0.284401
H -0.314078 -2.170311 0.286134
H 2.418259 -2.844626 -2.092842
H 3.548562 -3.750744 -1.014114
H 3.853436 -2.000420 -1.375955
H 2.420075 2.845811 -2.094343
H 3.854885 2.004266 -1.373518
H 3.547037 3.754596 -1.014363
H 4.186365 0.900006 1.670012
H 5.527102 -0.004363 0.857821
H 4.185108 -0.914795 1.661204


