%chk=000027471.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027471

0 1
 O   0.9691000      0.1229000      0.6316000    
 O   -1.204700      7.3200002E-02   1.128800    
 O  -0.5384000      0.6186000      -1.040200    
 O   -3.316000      -3.071900     -0.3821000    
 O   -1.444100      -2.289700      0.4564000    
 O   -6.998900       1.924600     -0.4034000    
 O   -7.118600     -0.1916000     -0.9747000    
 N   -2.631800      -2.131900      8.7099999E-02
 N   -6.483000      0.7860000     -0.5113000    
 C    5.874400      3.5999999E-03  0.2927000    
 C    7.121100      0.2230000     -0.5693000    
 C    4.565300      0.2901000     -0.4464000    
 C    8.432000      8.1000002E-03  0.1903000    
 C    3.357600      7.8299999E-02  0.4653000    
 C    9.641000      0.3103000     -0.6965000    
 C    2.047900      0.3207000     -0.2716000    
 C    10.94640      0.1357000      6.3100003E-02
 C  -0.2844000      0.3050000      0.1159000    
 C   -2.528600      0.2329000      0.7112000    
 C   -3.222500     -0.8435000      0.2037000    
 C   -3.091000       1.486000      0.8300000    
 C   -4.543200     -0.6590000     -0.2053000    
 C   -5.137800      0.5980000     -9.6500002E-02
 C   -4.411800       1.670600      0.4211000    
 H    5.934800      0.6496000       1.177600    
 H    5.868900      -1.031300      0.6566000    
 H    7.085400     -0.4530000      -1.432600    
 H    7.100300       1.245300     -0.9673000    
 H    4.489800     -0.3676000      -1.320600    
 H    4.570600       1.322200     -0.8169000    
 H    8.483000      -1.026600      0.5497000    
 H    8.453100      0.6588000       1.073000    
 H    3.360900     -0.9415000      0.8703000    
 H    3.416100      0.7461000       1.334000    
 H    9.638300     -0.3544000      -1.568000    
 H    9.580700       1.338500      -1.072100    
 H    1.954600     -0.3790000      -1.110700    
 H    2.018300       1.347300     -0.6555000    
 H    11.05340     -0.8909000      0.4279000    
 H    10.99420      0.8126000      0.9221000    
 H    11.79710      0.3548000     -0.5897000    
 H   -2.526700       2.320800       1.234000    
 H   -5.111800      -1.493600     -0.6091000    
 H   -4.842300       2.663800      0.5211000    


%chk=000027471-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027471

0 1
O 0.943995 0.497525 0.380376
O -1.216776 0.745840 0.850805
O -0.567896 0.566691 -1.418119
O -2.958994 -2.591804 -1.283870
O -1.177622 -1.887461 -0.053993
O -7.543833 1.305143 0.493367
O -7.302382 -0.691112 -0.588634
N -2.378776 -1.746796 -0.506214
N -6.829510 0.334878 0.031308
C 5.934624 0.179021 0.281345
C 7.221809 0.081337 -0.567938
C 4.644557 0.197254 -0.569532
C 8.511821 0.065218 0.282895
C 3.368494 0.325092 0.296934
C 9.802111 -0.020349 -0.564260
C 2.109540 0.342130 -0.563739
C 11.085406 -0.035052 0.294220
C -0.273266 0.565967 -0.211844
C -2.576667 0.565726 0.586357
C -3.160910 -0.563439 -0.063872
C -3.421968 1.589361 1.076256
C -4.555380 -0.630161 -0.257177
C -5.359506 0.410683 0.230989
C -4.812678 1.522435 0.911355
H 5.975613 1.097108 0.903653
H 5.895473 -0.675249 0.988476
H 7.182963 -0.836148 -1.191690
H 7.260691 0.936586 -1.274793
H 4.594555 -0.729786 -1.177225
H 4.694254 1.041713 -1.288042
H 8.478949 -0.794014 0.985102
H 8.548603 0.979135 0.912261
H 3.310580 -0.518207 1.010559
H 3.413261 1.254944 0.895313
H 9.765321 -0.933643 -1.192684
H 9.834561 0.838202 -1.265875
H 1.962168 -0.599196 -1.122817
H 2.090094 1.190347 -1.272269
H 11.089861 -0.899383 0.984956
H 11.162987 0.883136 0.906735
H 11.992964 -0.099858 -0.333708
H -2.949411 2.438704 1.576572
H -4.996158 -1.489651 -0.768984
H -5.474821 2.309035 1.281146


