%chk=000002825.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002825

0 1
 O  -0.9029000     -0.1439000      6.6999998E-03
 O    2.539600       2.283600     -0.2614000    
 O   0.9712000       1.836600       1.374700    
 O   -1.912000      -1.780700       1.272300    
 N    2.614200      -1.739500      -1.172500    
 C    2.835300     -0.5123000     -0.3810000    
 C    1.931100      -2.627600     -0.2126000    
 C    1.465000      0.2041000     -0.3285000    
 C    3.297100      -1.032600      0.9893000    
 C    2.692000      -2.432500       1.101200    
 C   0.4780000      -2.126100     -0.1098000    
 C   0.3834000     -0.6589000      0.3427000    
 C    3.854000      -2.311800      -1.690900    
 C    1.607600       1.521400      0.3784000    
 C   -1.964800     -0.8033000      0.5421000    
 C    2.776300       3.573900      0.3103000    
 C   -3.239900     -0.1722000      0.1170000    
 C    3.828700       4.290600     -0.5085000    
 C   -4.365800     -0.9604000     -5.5000000E-03
 C   -3.259000       1.182700     -0.1427000    
 C   -5.563500     -0.3674000     -0.4052000    
 C   -4.456700       1.775600     -0.5423000    
 C   -5.609000       1.000600     -0.6735000    
 H    3.592600      0.1353000     -0.8376000    
 H    1.925500      -3.675400     -0.5339000    
 H    1.130900      0.4452000      -1.348700    
 H    2.989100     -0.3914000       1.820800    
 H    4.390900      -1.104900       1.023300    
 H    3.496100      -3.171600       1.197100    
 H    2.049300      -2.529300       1.982300    
 H  -2.2000000E-02  -2.251300      -1.080200    
 H  -3.7900001E-02  -2.795500      0.5852000    
 H   0.4918000     -0.6139000       1.434900    
 H    4.326800      -1.612400      -2.389200    
 H    3.637000      -3.222900      -2.259300    
 H    4.585900      -2.563300     -0.9166000    
 H    1.845600       4.152100      0.3049000    
 H    3.126100       3.457100       1.342100    
 H    4.035200       5.282900     -9.7900003E-02
 H    4.759900       3.714700     -0.5277000    
 H    3.500700       4.399000      -1.547600    
 H   -4.342000      -2.026900      0.1973000    
 H   -2.379600       1.810700     -3.5000000E-02
 H   -6.460600     -0.9710000     -0.5081000    
 H   -4.493100       2.841500     -0.7484000    
 H   -6.541600       1.462400     -0.9841000    


%chk=000002825-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002825

0 1
O -0.738445 -0.293754 -0.217293
O 2.115870 2.354851 -0.197084
O 1.457504 1.328513 1.787103
O -1.839859 -1.488644 1.459931
N 2.942977 -1.888777 -1.211013
C 3.046202 -0.750705 -0.247753
C 2.109962 -2.863158 -0.430671
C 1.665854 -0.001429 -0.294216
C 3.325745 -1.406154 1.152594
C 2.704238 -2.838648 1.025121
C 0.649163 -2.349397 -0.473127
C 0.548767 -0.952688 0.173852
C 4.255801 -2.422568 -1.643414
C 1.706355 1.256505 0.559601
C -1.868884 -0.645269 0.528389
C 2.243833 3.650765 0.542202
C -3.085237 0.095165 0.080724
C 2.707268 4.692109 -0.470840
C -4.305434 -0.155950 0.760616
C -3.049354 1.028022 -0.988305
C -5.480345 0.521301 0.375646
C -4.228125 1.702682 -1.370616
C -5.443935 1.451814 -0.690707
H 3.838349 -0.051581 -0.565108
H 2.163824 -3.862575 -0.895603
H 1.500535 0.286388 -1.345747
H 2.881939 -0.823800 1.978242
H 4.413406 -1.460367 1.335383
H 3.477166 -3.618638 1.142160
H 1.926562 -3.029561 1.785140
H 0.335627 -2.281439 -1.530466
H -0.028114 -3.045037 0.053220
H 0.545345 -1.031035 1.275900
H 4.802291 -1.635784 -2.193048
H 4.089295 -3.264822 -2.337908
H 4.910428 -2.783171 -0.814257
H 1.260187 3.893271 0.983151
H 2.963976 3.509974 1.368694
H 2.815134 5.674159 0.024878
H 3.682416 4.413781 -0.905876
H 1.977170 4.795564 -1.291573
H -4.306648 -0.879287 1.582751
H -2.102739 1.212589 -1.503506
H -6.420828 0.327122 0.902498
H -4.201237 2.422592 -2.195893
H -6.357506 1.978069 -0.989874


