%chk=000087499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087499

0 1
 O    1.619400     -0.5773000      0.3419000    
 O   0.9821000       1.507100       1.082400    
 N   -1.324000       2.263200     -0.2326000    
 C    2.937500     -0.1436000     -1.0200000E-02
 C  -0.6491000     -2.9899999E-02  0.2686000    
 C    3.820700      -1.360800     -0.2382000    
 C    2.860600      0.7404000      -1.245700    
 C   -1.620000      0.8850000     -0.1385000    
 C   0.7015000      0.3997000      0.6096000    
 C  -0.9620000      -1.386400      0.3559000    
 C   -2.903800      0.4435000     -0.4584000    
 C   -2.245900      -1.827900      3.5999998E-02
 C   -3.216900     -0.9130000     -0.3710000    
 H    3.355300      0.4265000      0.8288000    
 H    3.423600      -1.985300      -1.046100    
 H    4.845100      -1.070000     -0.4896000    
 H    3.844800      -1.987500      0.6599000    
 H    3.862500       1.002300      -1.601100    
 H    2.327900       1.676700      -1.055300    
 H    2.327600      0.2320000      -2.057100    
 H  -0.2339000      -2.124000      0.6833000    
 H   -3.670300       1.145600     -0.7767000    
 H   -2.491000      -2.883700      0.1070000    
 H   -4.216800      -1.256900     -0.6191000    
 H  -0.3976000       2.609600     -2.5100000E-02
 H   -2.040800       2.910200     -0.5340000    


%chk=000087499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087499

0 1
O 1.597524 -0.464288 -0.175749
O 0.974148 1.756834 0.155949
N -1.644556 2.296992 0.317303
C 3.043103 -0.039039 -0.161358
C -0.742980 0.035649 -0.069060
C 3.818986 -1.270398 0.311300
C 3.430787 0.443242 -1.566630
C -1.849522 0.948793 0.103927
C 0.640403 0.539284 -0.019138
C -1.005428 -1.347566 -0.288678
C -3.179052 0.419947 0.049034
C -2.315349 -1.846179 -0.340538
C -3.403799 -0.946216 -0.168579
H 3.128457 0.794667 0.559864
H 3.689537 -2.109693 -0.394913
H 4.896312 -1.032613 0.376427
H 3.471371 -1.595347 1.306846
H 4.498105 0.731625 -1.585606
H 2.831638 1.322564 -1.856633
H 3.274000 -0.359953 -2.308504
H -0.148543 -2.014748 -0.416835
H -4.026096 1.104449 0.180217
H -2.498651 -2.911367 -0.511339
H -4.433264 -1.321437 -0.205701
H -0.675272 2.636223 0.344826
H -2.435359 2.924075 0.438267


