%chk=000006453.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006453

0 1
 O  -0.3469000      -1.465200      -2.012800    
 O  -0.3780000      0.7607000      -2.608700    
 N    3.173100      0.9384000      0.3787000    
 C  -0.4997000      0.1719000     -0.2232000    
 C   0.7308000      0.9407000      0.2490000    
 C  -0.5276000      -1.226800      0.2916000    
 C    2.013900      0.1942000     -9.9299997E-02
 C   -1.753400      0.9248000      8.4600002E-02
 C  -0.4050000     -9.8899998E-02  -1.737700    
 C  -0.4351000      -2.093500     -0.7833000    
 C  -0.6186000      -1.712200       1.585700    
 C    4.408200      0.2026000      0.1023000    
 C    3.224000       2.265200     -0.2382000    
 C   -2.976600      0.4634000     -0.3977000    
 C   -1.695500       2.085700      0.8532000    
 C  -0.4321000      -3.466300     -0.6208000    
 C  -0.6183000      -3.096400       1.775100    
 C  -0.5259000      -3.968200      0.6781000    
 C   -4.146900       1.166000     -0.1104000    
 C   -2.865900       2.788100       1.140600    
 C    4.377200      -1.178900      0.7338000    
 C    4.390000       3.076600      0.3006000    
 C   -4.091600       2.328200      0.6587000    
 H   0.7249000       1.089100       1.337700    
 H   0.7105000       1.914200     -0.2503000    
 H    2.097500      1.7400000E-02  -1.178500    
 H    1.975600     -0.7769000      0.3976000    
 H  -0.6880000      -1.041100       2.435100    
 H    4.599500      0.1110000     -0.9743000    
 H    5.267800      0.7124000      0.5494000    
 H    3.278600       2.210900      -1.332500    
 H    2.349600       2.865400      2.3600001E-02
 H   -3.050900     -0.4393000     -0.9976000    
 H  -0.7873000       2.505900       1.267800    
 H  -0.3593000      -4.136000      -1.470300    
 H  -0.6891000      -3.503500       2.780100    
 H  -0.5264000      -5.042100      0.8437000    
 H   -5.101400      0.8078000     -0.4850000    
 H   -2.824600       3.692700       1.740400    
 H    4.040200      -1.145200       1.775600    
 H    5.388300      -1.602000      0.7346000    
 H    3.750900      -1.882000      0.1757000    
 H    4.434500       3.047900       1.394800    
 H    5.351800       2.746500     -0.1038000    
 H    4.274300       4.126300      7.0000002E-03
 H   -5.002900       2.874900      0.8828000    


%chk=000006453-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006453

0 1
O -0.653932 -1.058397 -2.414733
O -0.352112 1.250484 -2.575962
N 3.265339 0.902778 0.289291
C -0.526892 0.166807 -0.292524
C 0.774068 0.813934 0.294193
C -0.584740 -1.337984 -0.078243
C 2.081896 0.142378 -0.178424
C -1.775477 0.939519 0.214191
C -0.492147 0.260641 -1.850164
C -0.673499 -1.982368 -1.330126
C -0.530392 -2.122012 1.088302
C 4.442295 0.043439 0.586837
C 3.592231 2.057103 -0.594021
C -2.788309 0.311385 0.979938
C -1.907417 2.321174 -0.088665
C -0.740961 -3.371554 -1.487545
C -0.591464 -3.534138 0.969342
C -0.702732 -4.148671 -0.302509
C -3.896983 1.051513 1.451816
C -3.015424 3.057314 0.379849
C 4.290745 -0.746921 1.900675
C 4.312638 3.197773 0.149812
C -4.014208 2.427643 1.158640
H 0.720747 0.773289 1.397494
H 0.782370 1.882058 0.012467
H 2.075390 0.037607 -1.293042
H 2.131226 -0.881604 0.230925
H -0.438503 -1.652561 2.074042
H 4.658446 -0.660535 -0.256453
H 5.324145 0.703587 0.675965
H 4.202471 1.731289 -1.473692
H 2.643943 2.447674 -1.007622
H -2.723606 -0.757484 1.203016
H -1.159287 2.815427 -0.717312
H -0.811316 -3.827604 -2.478655
H -0.552572 -4.156385 1.869602
H -0.752520 -5.240348 -0.375583
H -4.670345 0.548067 2.042903
H -3.102148 4.120927 0.131422
H 4.128428 -0.052143 2.743070
H 5.201173 -1.342542 2.100567
H 3.436162 -1.447604 1.866191
H 3.688883 3.558445 0.986130
H 5.282730 2.871286 0.566525
H 4.510581 4.041812 -0.537042
H -4.874721 2.999903 1.522614


