%chk=000080465.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080465

0 1
 O   -1.801800       1.858200      0.6638000    
 O   -3.649800      0.2073000     -0.5941000    
 O    4.437900      0.2692000      0.7848000    
 N    2.715300     -0.1545000     -0.7240000    
 C    1.481800      -1.752900      0.6977000    
 C   0.1265000      -1.232000      0.3576000    
 C    2.515900      -1.545200     -0.4157000    
 C  -0.2136000      8.3999999E-02  0.6712000    
 C  -0.8012000      -2.060700     -0.2736000    
 C   -1.481500      0.5712000      0.3535000    
 C   -2.409100     -0.2577000     -0.2778000    
 C   -2.069000      -1.573600     -0.5913000    
 C    3.664100      0.6391000     -9.4499998E-02
 C    3.679100       2.047900     -0.6243000    
 C   -1.523100       2.851200     -0.3214000    
 C   -4.671500      4.8400000E-02  0.3882000    
 H    1.416800      -2.824200      0.9277000    
 H    1.834200      -1.276900       1.622400    
 H    3.472400      -1.985300     -0.1133000    
 H    2.193300      -2.038100      -1.339400    
 H   0.5032000      0.7351000       1.165900    
 H  -0.5476000      -3.087100     -0.5252000    
 H   -2.786100      -2.224300      -1.084300    
 H    2.127900      0.2583000      -1.443000    
 H    4.275700       2.683500      3.5900000E-02
 H    4.117300       2.056000      -1.625900    
 H    2.661500       2.447100     -0.6679000    
 H   -2.081100       2.648900      -1.241100    
 H  -0.4498000       2.890000     -0.5335000    
 H   -1.837300       3.821800      7.1999997E-02
 H   -4.408100      0.5802000       1.308000    
 H   -4.836700      -1.012500      0.6013000    
 H   -5.597400      0.4737000     -8.6000003E-03


%chk=000080465-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080465

0 1
O -1.973803 1.787102 0.911511
O -3.684044 0.139899 -0.811691
O 5.020480 -0.093548 0.152539
N 2.823849 -0.179151 -0.621364
C 1.530196 -1.750424 0.862742
C 0.156387 -1.246221 0.442408
C 2.604936 -1.583170 -0.250282
C -0.308260 0.028813 0.851322
C -0.670773 -2.022376 -0.412781
C -1.566490 0.518211 0.436257
C -2.405339 -0.291439 -0.382486
C -1.938389 -1.551513 -0.815346
C 4.021839 0.480228 -0.381101
C 4.060455 1.945570 -0.811352
C -2.237437 2.794826 -0.142091
C -4.668222 0.316744 0.283276
H 1.478420 -2.827415 1.115014
H 1.879192 -1.217458 1.765575
H 3.578474 -1.966025 0.101870
H 2.305090 -2.161646 -1.146054
H 0.297721 0.664175 1.506800
H -0.330867 -3.010451 -0.745831
H -2.595364 -2.152574 -1.452483
H 2.039492 0.338285 -1.021983
H 4.322726 2.569446 0.060257
H 4.860590 2.078744 -1.559923
H 3.108564 2.306729 -1.238497
H -2.996538 2.432826 -0.858259
H -1.299898 3.034783 -0.679392
H -2.600229 3.686670 0.391026
H -4.302871 1.044208 1.030571
H -4.867972 -0.654860 0.773384
H -5.583716 0.687112 -0.202537


