%chk=000058789.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058789

0 1
 O   -3.150600      0.2442000       1.458000    
 O   0.3272000      0.6400000      0.6127000    
 O  -0.8872000       1.192400       2.492000    
 N    5.299400     -0.2073000     -0.3648000    
 C   -2.315700       1.125900     -0.5752000    
 C   -3.609500      0.7878000      -1.309300    
 C   -2.558500       2.565900     -0.1345000    
 C   -2.020800      0.1873000      0.5816000    
 C   -3.942000       2.061100      -2.081100    
 C   -3.255400       3.204300      -1.331500    
 C    2.670900      0.9338000      0.2546000    
 C    2.863000     -0.5449000     -9.8899998E-02
 C    3.971000       1.500600      0.8349000    
 C   -1.815900      -1.277800      0.2200000    
 C  -0.8226000      0.7329000       1.358100    
 C    1.509400       1.118900       1.227100    
 C    4.087300     -0.7488000     -0.9937000    
 C    5.158300       1.229300     -9.1300003E-02
 C   -2.249000      -2.247800       1.099900    
 C   -1.203800      -1.589400     -0.9764000    
 C    6.468200     -0.4554000      -1.208500    
 C   -2.061700      -3.589800      0.7688000    
 C   -1.016600      -2.931500      -1.307600    
 C   -1.445500      -3.931600     -0.4349000    
 H   -1.489100       1.148300      -1.297900    
 H   -3.506800     -6.7000002E-02  -1.984600    
 H   -4.431500      0.5667000     -0.6185000    
 H   -3.226200       2.644200      0.7294000    
 H   -1.632300       3.095100      0.1121000    
 H   -3.552200       2.001500      -3.103800    
 H   -5.023900       2.213000      -2.151100    
 H   -3.969600       3.972000      -1.016800    
 H   -2.521400       3.688100      -1.986400    
 H    2.432900       1.469500     -0.6749000    
 H    2.979300      -1.138600      0.8175000    
 H    1.978800     -0.9330000     -0.6177000    
 H    3.871000       2.581600      0.9893000    
 H    4.168300       1.055700       1.819200    
 H    1.389600       2.182600       1.465300    
 H    1.693100      0.5665000       2.156600    
 H    3.910800     -0.2811000      -1.971400    
 H    4.208100      -1.825500      -1.165400    
 H    6.065100       1.604300      0.3986000    
 H    5.034400       1.795100      -1.024200    
 H   -3.118100       1.067100       1.972800    
 H   -2.714700      -2.014700       2.052100    
 H  -0.8407000     -0.8397000      -1.669600    
 H    7.380000     -9.6299998E-02 -0.7182000    
 H    6.385800      3.4899998E-02  -2.185400    
 H    6.603400      -1.530300      -1.372300    
 H   -2.391300      -4.368800       1.450100    
 H  -0.5322000      -3.198000      -2.242400    
 H   -1.297500      -4.976400     -0.6917000    


%chk=000058789-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058789

0 1
O -3.178915 0.403002 1.637834
O 0.334990 0.648991 0.646246
O -0.777845 0.886923 2.671282
N 5.407347 0.023191 -0.541586
C -2.307999 1.046756 -0.563678
C -3.663219 0.763554 -1.260590
C -2.375891 2.568478 -0.280683
C -2.076077 0.167712 0.705542
C -3.890287 2.000647 -2.177723
C -3.043898 3.165593 -1.552676
C 2.738761 0.962606 0.291013
C 2.991721 -0.481629 -0.203902
C 4.046677 1.537455 0.894513
C -1.994444 -1.337430 0.347873
C -0.783177 0.600283 1.445182
C 1.616768 1.041219 1.326178
C 4.186402 -0.528458 -1.175407
C 5.209049 1.426527 -0.112175
C -2.931409 -2.239620 0.905011
C -1.019875 -1.827812 -0.558724
C 6.602164 -0.137435 -1.391826
C -2.892616 -3.611545 0.567121
C -0.982833 -3.198201 -0.896433
C -1.918571 -4.097705 -0.334021
H -1.478382 0.841126 -1.268521
H -3.664446 -0.188380 -1.819522
H -4.448580 0.703021 -0.485330
H -3.017259 2.729559 0.605668
H -1.385208 3.015012 -0.075470
H -3.548324 1.789230 -3.207936
H -4.962374 2.259040 -2.241976
H -3.665706 4.045139 -1.307248
H -2.273323 3.506467 -2.269175
H 2.451545 1.589924 -0.579403
H 3.211631 -1.131896 0.665790
H 2.088738 -0.880621 -0.701480
H 3.909074 2.598558 1.181829
H 4.314347 0.970574 1.807893
H 1.484870 2.063775 1.726007
H 1.780094 0.349258 2.173180
H 3.924005 0.036873 -2.111046
H 4.390328 -1.574252 -1.472217
H 6.145661 1.783868 0.355409
H 4.999789 2.096520 -0.990384
H -2.772245 0.606834 2.527126
H -3.689203 -1.846549 1.588396
H -0.285487 -1.142221 -0.994217
H 7.496093 0.221092 -0.850346
H 6.537419 0.422515 -2.360207
H 6.751094 -1.206729 -1.626366
H -3.625941 -4.298380 1.005158
H -0.223430 -3.564179 -1.597118
H -1.888605 -5.161380 -0.596162


