%chk=000028879.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028879

0 1
 O    5.041500     -0.6029000      0.4093000    
 O    4.708400       1.288100     -0.9812000    
 N   -3.565400      -1.526700     -0.8093000    
 N    2.391100      0.4417000      0.4331000    
 C   -2.399200      0.1074000      0.1611000    
 C   -2.297300      -1.149900     -0.4349000    
 C   -3.780300      0.4819000      0.1348000    
 C   -1.223900      0.7247000      0.6385000    
 C   -4.481900     -0.5574000     -0.4764000    
 C   -1.078800      -1.823300     -0.5782000    
 C   2.0000001E-03  6.3800000E-02  0.5024000    
 C   7.1199998E-02  -1.191500     -9.7300000E-02
 C   -4.498900       1.612800      0.5763000    
 C   -1.247900       2.074200       1.290500    
 C   -5.867800     -0.5245000     -0.6691000    
 C  -0.9689000      -3.168600      -1.215000    
 C    1.238200      0.6689000      0.9832000    
 C   -5.885200       1.660100      0.3906000    
 C   -6.557500      0.6061000     -0.2231000    
 C    3.495200       1.149500       1.075200    
 C    4.806600      0.8074000      0.3669000    
 C    5.134700      -1.114000       1.732000    
 C    5.882900       1.021100      -1.736700    
 C    5.382600      -2.606100       1.667700    
 C    5.698700       1.557300      -3.140400    
 H   -3.800100      -2.396200      -1.267200    
 H    1.026400      -1.704800     -0.1939000    
 H   -4.022400       2.447200       1.077300    
 H   -1.456300       1.977000       2.360000    
 H  -0.3188000       2.635600       1.155400    
 H   -1.998400       2.719600      0.8316000    
 H   -6.392200      -1.345300      -1.146900    
 H  -0.2916000      -3.123500      -2.074500    
 H  -0.5751000      -3.893500     -0.4950000    
 H   -1.930800      -3.545700      -1.573000    
 H    1.175100       1.340700       1.857100    
 H   -6.442900       2.527500      0.7338000    
 H   -7.634800      0.6618000     -0.3567000    
 H    3.326400       2.229900      0.9711000    
 H    3.534800      0.9346000       2.147700    
 H    5.636900       1.329900      0.8589000    
 H    5.953600     -0.6195000       2.265500    
 H    4.203300     -0.9736000       2.285400    
 H    6.743800       1.506500      -1.264100    
 H    6.065400     -5.7700001E-02  -1.787000    
 H    5.462000      -3.034000       2.671100    
 H    4.570900      -3.109500       1.131900    
 H    6.306000      -2.819600       1.119200    
 H    6.586700       1.369900      -3.750400    
 H    4.833900       1.088600      -3.621700    
 H    5.505600       2.634900      -3.119100    


%chk=000028879-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028879

0 1
O 4.182608 0.004764 0.987809
O 4.938055 0.188977 -1.245551
N -3.566480 -0.775023 -1.588290
N 2.396709 1.556864 -0.864669
C -2.160178 0.071353 0.031950
C -2.281128 -0.265934 -1.357197
C -3.445462 -0.258458 0.655650
C -0.942144 0.614279 0.534128
C -4.292827 -0.782413 -0.387070
C -1.229379 -0.093960 -2.293833
C 0.125521 0.797113 -0.397161
C -0.040644 0.438101 -1.776917
C -3.974051 -0.173890 1.969721
C -0.852628 0.959658 2.011193
C -5.615305 -1.209168 -0.151390
C -1.397723 -0.471280 -3.752571
C 1.436442 1.350606 0.001148
C -5.297285 -0.599504 2.215580
C -6.109754 -1.111590 1.167172
C 3.676861 2.057920 -0.349000
C 4.690524 0.927393 -0.046322
C 4.524605 0.405007 2.363071
C 6.003401 -0.827615 -1.100019
C 3.982970 -0.676148 3.298366
C 6.194655 -1.475484 -2.469596
H -3.916325 -1.091683 -2.489334
H 0.826579 0.599278 -2.426712
H -3.371704 0.214986 2.794902
H -1.028100 0.060436 2.632181
H 0.121862 1.377680 2.303250
H -1.627559 1.700343 2.286196
H -6.241763 -1.604187 -0.958868
H -0.468281 -0.283394 -4.314434
H -1.647234 -1.544475 -3.873509
H -2.203970 0.114105 -4.238321
H 1.581199 1.590854 1.075095
H -5.706273 -0.535048 3.229789
H -7.133706 -1.435255 1.384932
H 4.136020 2.715371 -1.110162
H 3.569822 2.639781 0.599331
H 5.641197 1.385284 0.337083
H 5.628677 0.503533 2.464005
H 4.071044 1.392175 2.602397
H 6.937913 -0.330182 -0.752937
H 5.694273 -1.566961 -0.337218
H 4.209889 -0.427277 4.351307
H 2.889035 -0.770389 3.185110
H 4.436212 -1.654154 3.061690
H 6.980365 -2.251768 -2.421996
H 5.253949 -1.947005 -2.801511
H 6.487016 -0.722718 -3.221969


