%chk=000004423.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004423

0 1
 O   -2.340500     -4.9500000E-02  -1.452100    
 O   -2.995100       3.135500     -0.6209000    
 O   -3.529200      -2.651100     -0.8621000    
 N    2.599000      0.5715000      3.5900000E-02
 C  -0.2400000      0.7381000     -0.5553000    
 C   0.4317000       1.590900      0.5267000    
 C    1.595500      0.7310000       1.117100    
 C   -1.622000       1.186200      -1.070900    
 C   0.7824000      0.4905000      -1.685200    
 C  -0.6705000     -0.5696000      1.3600000E-02
 C    1.091000     -0.6065000       1.763100    
 C    2.097400     -0.1143000      -1.160000    
 C  -5.5000000E-02  -1.259400       1.039400    
 C   -2.497600       1.933400     -2.7700000E-02
 C  -0.5391000       2.121800       1.542500    
 C   -1.835200     -0.9940000     -0.5908000    
 C   -1.841400       2.287500       1.277000    
 C    3.858900     -6.0999999E-03  0.4918000    
 C  -0.6128000      -2.487900       1.394400    
 C   -2.394000      -2.209400     -0.2684000    
 C   -1.763200      -2.965500      0.7300000    
 C    4.922400      9.1399997E-02 -0.5583000    
 C    5.557500     -0.9645000      -1.079600    
 H   0.8721000       2.487200      6.2899999E-02
 H    2.074900       1.317300       1.913300    
 H   -1.524700       1.786900      -1.983600    
 H    1.003800       1.446800      -2.178200    
 H   0.3741000     -0.1707000      -2.460600    
 H   0.7355000     -0.3679000       2.774600    
 H    1.905900      -1.325700       1.887700    
 H    1.959100      -1.185400     -0.9663000    
 H    2.813500     -4.1400000E-02  -1.986700    
 H   -3.382200       1.326800      0.2038000    
 H  -0.1532000       2.436600       2.507900    
 H   -2.477400       2.709400       2.051300    
 H    3.734000      -1.050000      0.8020000    
 H    4.222200      0.5446000       1.368300    
 H  -0.1770000      -3.078200       2.195900    
 H   -2.180500      -3.925700       1.025200    
 H   -3.596900       3.557100      1.6500000E-02
 H    5.198100       1.084800     -0.9041000    
 H   -3.813900      -1.985100      -1.511900    
 H    6.323800     -0.8264000      -1.834500    
 H    5.326200      -1.977000     -0.7680000    


%chk=000004423-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004423

0 1
O -2.582598 -0.094182 -1.274003
O -1.973168 3.475989 -0.868140
O -3.895664 -2.684555 -0.490992
N 2.534258 0.493355 -0.011698
C -0.323124 0.599400 -0.581893
C 0.336894 1.436838 0.552622
C 1.539246 0.599201 1.096857
C -1.683219 1.129907 -1.133753
C 0.719499 0.405338 -1.720104
C -0.748483 -0.720094 0.039617
C 1.109424 -0.780057 1.727645
C 2.019454 -0.235572 -1.200765
C -0.095601 -1.427948 1.056033
C -2.381102 2.180367 -0.237553
C -0.695769 1.827992 1.587903
C -2.008019 -1.083836 -0.438415
C -1.969130 2.139566 1.222899
C 3.876855 0.030255 0.413504
C -0.714289 -2.635533 1.484174
C -2.631327 -2.276254 -0.030803
C -1.944582 -3.064498 0.927859
C 4.951152 0.438566 -0.576783
C 5.900136 -0.390590 -1.077670
H 0.780790 2.351413 0.108336
H 2.031607 1.188584 1.896395
H -1.604059 1.553412 -2.147653
H 0.946168 1.398362 -2.154578
H 0.292525 -0.229555 -2.519466
H 0.863289 -0.618034 2.797301
H 1.986926 -1.457555 1.725905
H 1.840549 -1.315390 -0.974416
H 2.794911 -0.196433 -1.986669
H -3.476582 2.059455 -0.344008
H -0.399965 1.855699 2.646390
H -2.720760 2.414495 1.973799
H 3.932222 -1.075545 0.575906
H 4.092635 0.509802 1.390907
H -0.251905 -3.238536 2.274505
H -2.418805 -3.992360 1.263092
H -2.076688 4.196279 -0.195360
H 4.926710 1.497710 -0.872470
H -4.248233 -2.016459 -1.132072
H 6.671424 -0.030673 -1.767704
H 5.934000 -1.454326 -0.808982


