%chk=000049404.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049404

0 1
 O   -3.810300       1.993000      -1.377400    
 O   -5.107000      0.4721000      0.5514000    
 N    4.785700       2.197500      0.5743000    
 C   0.4750000      5.0000002E-04 -0.1819000    
 C  -0.9860000      0.1122000      3.0099999E-02
 C    1.150100      -1.293000     -0.4321000    
 C   -1.644700     -0.6787000      0.9910000    
 C    2.720600       1.115900     -0.1829000    
 C    1.229000       1.110000     -6.9399998E-02
 C   0.9596000      -2.391900      0.4275000    
 C    3.331100       2.218600      0.6811000    
 C   -1.735100      0.9999000     -0.7652000    
 C  -0.9548000      -1.615300       1.894900    
 C   0.1485000      -2.341200       1.656200    
 C   -3.033300     -0.5297000       1.157700    
 C    1.969700      -1.437600      -1.567100    
 C   -3.113300       1.122900     -0.5952000    
 C   -3.761900      0.3606000      0.3686000    
 C    1.629000      -3.596800      0.1485000    
 C    2.612900      -2.644900      -1.835500    
 C    2.445500      -3.723400     -0.9757000    
 C    5.202900       2.388400     -0.8156000    
 C    5.379700       3.226700       1.429000    
 C   -3.953000       3.327600     -0.8946000    
 C   -5.939900     -0.3934000     -0.2177000    
 H    2.942300       1.296700      -1.239600    
 H    3.175500      0.1686000      0.1246000    
 H   0.7533000       2.071100      0.1183000    
 H    2.928000       3.198000      0.3885000    
 H    3.039200       2.050100       1.726200    
 H   -1.243800       1.599800      -1.529600    
 H   -1.428400      -1.744800       2.867400    
 H   0.4844000      -3.003300       2.453400    
 H   -3.560200      -1.117000       1.908500    
 H    2.094400     -0.6235000      -2.277600    
 H    1.516200      -4.457700      0.8050000    
 H    3.238800      -2.743000      -2.717500    
 H    2.947500      -4.664700      -1.178900    
 H    6.288700       2.535700     -0.8702000    
 H    4.728200       3.259600      -1.281500    
 H    5.012200       1.499900      -1.425600    
 H    5.092200       3.071700       2.475000    
 H    5.074700       4.237000       1.133000    
 H    6.473500       3.172100       1.395200    
 H   -2.972600       3.801900     -0.7836000    
 H   -4.485600       3.336800      6.1600000E-02
 H   -4.535700       3.895600      -1.625000    
 H   -5.796000     -0.2160000      -1.288200    
 H   -6.982000     -0.1798000      3.5100002E-02
 H   -5.729100      -1.440600      2.1600001E-02


%chk=000049404-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049404

0 1
O -3.739748 1.942933 -1.500294
O -5.084226 0.581249 0.730171
N 4.849006 2.327583 0.391114
C 0.560160 -0.114159 -0.245213
C -0.918714 -0.019632 -0.020107
C 1.163395 -1.472198 -0.425920
C -1.571430 -0.693745 1.065930
C 2.787362 1.188182 -0.531716
C 1.293675 1.039985 -0.343426
C 1.043480 -2.499550 0.567249
C 3.381357 2.169344 0.511386
C -1.682174 0.845425 -0.843718
C -0.900285 -1.618667 1.986441
C 0.221941 -2.383496 1.778591
C -2.958737 -0.450866 1.281344
C 1.922815 -1.737991 -1.596463
C -3.054040 1.075383 -0.619771
C -3.707638 0.397498 0.450215
C 1.755361 -3.721460 0.375723
C 2.588641 -2.966767 -1.786302
C 2.516345 -3.961886 -0.782679
C 5.264903 3.040008 -0.832998
C 5.440608 2.933570 1.601788
C -4.332265 3.140120 -0.857387
C -5.990446 0.082790 -0.331266
H 2.992409 1.572905 -1.553110
H 3.307916 0.219188 -0.445383
H 0.745870 1.987124 -0.212959
H 2.850445 3.156952 0.433111
H 3.166742 1.770209 1.520659
H -1.205401 1.366160 -1.679851
H -1.426468 -1.776803 2.938441
H 0.491072 -3.082051 2.583581
H -3.482768 -0.952386 2.102470
H 1.983324 -0.960176 -2.365559
H 1.684563 -4.495951 1.149217
H 3.168092 -3.141357 -2.699428
H 3.042841 -4.914378 -0.907670
H 6.367671 3.092494 -0.870658
H 4.866006 4.086556 -0.889733
H 4.926221 2.496326 -1.731198
H 5.182974 2.324674 2.486559
H 5.095368 3.982902 1.790905
H 6.541598 2.951039 1.508369
H -3.530497 3.785178 -0.450428
H -5.028056 2.853175 -0.048820
H -4.866930 3.668874 -1.661116
H -5.775115 0.573152 -1.297976
H -7.007164 0.330412 0.010125
H -5.884359 -1.013667 -0.436143


