%chk=000022179.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022179

0 1
 O  -7.1699999E-02  -2.707900      2.4100000E-02
 O    2.470300      -3.568100      0.1053000    
 O   -4.237900     -0.7906000      0.7880000    
 O   -4.600700       1.830000     -5.1500000E-02
 N    2.601200       2.824900     -0.3121000    
 C    1.462500       2.015200      0.1486000    
 C    1.724200      0.5175000      0.1074000    
 C   0.2262000       2.364800     -0.6950000    
 C    3.049300      3.7900001E-02  0.1188000    
 C   0.6238000     -0.3746000      0.1207000    
 C    4.212100      0.9952000      5.2999999E-02
 C  -0.9589000       1.517800     -0.2883000    
 C    3.818300       2.431200      0.3984000    
 C  -0.7548000      0.1731000      0.1031000    
 C   0.9005000      -1.752400      0.1217000    
 C    3.283600      -1.339200      0.1182000    
 C    2.214000      -2.228500      0.1229000    
 C   -2.251700       2.058800     -0.3494000    
 C   -1.885900     -0.5793000      0.4660000    
 C   -3.169900     -2.8200001E-02  0.4183000    
 C   -3.353200       1.287000      6.2000002E-03
 C  -0.4227000      -3.137500      -1.287700    
 C   -4.878700      -1.547200     -0.2367000    
 H    1.256100       2.273200       1.198000    
 H   0.4156000       2.193400      -1.763300    
 H  -1.2500000E-02   3.428500     -0.5676000    
 H    2.406800       3.810200     -0.1356000    
 H    5.002700      0.6694000      0.7393000    
 H    4.618800      0.9642000     -0.9659000    
 H    3.675600       2.541700       1.481100    
 H    4.636100       3.104100      0.1174000    
 H    4.305600      -1.710800      0.1049000    
 H   -2.397200       3.087100     -0.6724000    
 H   -1.811900      -1.588400      0.8555000    
 H    3.432600      -3.708900      0.1027000    
 H  -0.6672000      -2.285800      -1.930700    
 H   -1.304900      -3.779300      -1.212200    
 H   0.3910000      -3.717800      -1.733300    
 H   -5.240000       1.171900      0.2712000    
 H   -5.730300      -2.071000      0.2059000    
 H   -4.188300      -2.289100     -0.6506000    
 H   -5.246000     -0.8922000      -1.033000    


%chk=000022179-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022179

0 1
O -0.326052 -2.595734 -0.431447
O 2.246162 -3.609754 -0.295232
O -4.529286 -0.416101 0.329753
O -4.656124 2.166290 -0.376210
N 2.623664 2.845777 0.002669
C 1.388255 2.063148 0.212962
C 1.651880 0.564081 0.056271
C 0.297309 2.491119 -0.786638
C 2.969954 0.053038 0.098649
C 0.520969 -0.302331 -0.125413
C 4.172594 0.976535 0.258770
C -0.963429 1.689559 -0.517729
C 3.760348 2.353878 0.808444
C -0.840301 0.306695 -0.173017
C 0.757067 -1.703244 -0.268665
C 3.175084 -1.341817 -0.019536
C 2.083568 -2.210078 -0.194807
C -2.235490 2.299004 -0.586123
C -2.024885 -0.428729 0.127334
C -3.279812 0.192204 0.060168
C -3.397461 1.560594 -0.308452
C -0.335678 -3.382209 -1.684279
C -4.517181 -1.822694 0.732475
H 0.975868 2.219424 1.246527
H 0.682755 2.314816 -1.811056
H 0.092866 3.574701 -0.693300
H 2.452289 3.852609 0.120179
H 4.926660 0.509948 0.922429
H 4.649709 1.125526 -0.729702
H 3.507597 2.259216 1.894301
H 4.599650 3.067038 0.720622
H 4.195774 -1.746262 0.032179
H -2.336897 3.356326 -0.850275
H -1.931807 -1.480884 0.397120
H 3.200141 -3.846835 -0.185924
H -0.328460 -2.707527 -2.561418
H -1.276676 -3.953938 -1.659087
H 0.528044 -4.066863 -1.716657
H -5.338398 1.484441 -0.133999
H -5.572128 -2.094416 0.885633
H -3.951024 -1.959546 1.673257
H -4.074619 -2.456704 -0.059378


