%chk=000045968.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045968

1 1
 O  -0.7669000      0.2995000       1.364500    
 O   -1.493600      0.2880000     -0.8338000    
 N    4.488700      0.8134000     -0.4969000    
 N   -3.007000      0.1182000      0.9447000    
 C    3.053400      0.6558000      1.0900000E-02
 C    2.578600     -0.6003000      0.1880000    
 C    3.369500      -1.838600     -8.1500001E-02
 C    4.805200       2.301200     -0.6192000    
 C    4.609600      0.1195000      -1.850800    
 C    5.508800      0.1863000      0.4512000    
 C    2.372900       1.806300      0.2431000    
 C    1.268800     -0.7230000      0.6517000    
 C    2.744200      -2.704300      -1.190400    
 C    3.584200      -2.685100       1.186300    
 C   0.5110000      0.4189000      0.9112000    
 C    1.063100       1.683600      0.7069000    
 C   -1.759900      0.2380000      0.3616000    
 C   -4.262600      2.6000001E-02  0.3025000    
 C   -5.411200     -8.9800000E-02   1.069300    
 C   -4.321100      5.4200001E-02  -1.081800    
 C   -6.650500     -0.1797000      0.4353000    
 C   -5.560200     -3.5599999E-02  -1.715800    
 C   -6.725000     -0.1526000     -0.9572000    
 H    4.370500      -1.698700     -0.4304000    
 H    4.783300       2.775600      0.3683000    
 H    5.830400       2.385700      -1.001500    
 H    4.150600       2.765900      -1.365100    
 H    3.622100     -5.2299999E-02  -2.289000    
 H    5.130800      0.8116000      -2.523900    
 H    5.230500     -0.7785000      -1.832000    
 H    5.901500     -0.7722000      0.1095000    
 H    6.375600      0.8550000      0.5114000    
 H    5.076000      0.1150000       1.453900    
 H    2.708100       2.825400      0.1201000    
 H   0.8222000      -1.700100      0.8174000    
 H    1.771100      -3.109100     -0.8916000    
 H    3.392700      -3.555800      -1.425800    
 H    2.596300      -2.132600      -2.112200    
 H    4.057100      -2.096300       1.979700    
 H    4.233300      -3.541900      0.9733000    
 H    2.641200      -3.079400       1.580200    
 H   0.4768000       2.576200      0.9088000    
 H   -3.026200      9.2900001E-02   1.961300    
 H   -5.364600     -0.1116000       2.154600    
 H   -3.465400      0.1426000      -1.735300    
 H   -7.557400     -0.2708000       1.025900    
 H   -5.619800     -1.4600000E-02  -2.800200    
 H   -7.689800     -0.2226000      -1.450800    


%chk=000045968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045968

1 1
O -0.867660 1.095677 0.320643
O -1.559361 -1.118861 -0.288011
N 4.874594 0.859376 -0.077948
N -3.063952 0.610352 0.316688
C 3.333132 0.824142 0.001026
C 2.585299 -0.360749 -0.283326
C 3.111315 -1.755471 -0.693782
C 5.460206 2.232416 0.276177
C 5.345494 0.567143 -1.512622
C 5.487365 -0.124512 0.933017
C 2.671063 2.022616 0.369144
C 1.171634 -0.274819 -0.177363
C 2.573742 -2.171600 -2.091967
C 2.755617 -2.823564 0.378499
C 0.516157 0.919953 0.188951
C 1.274195 2.079867 0.464664
C -1.845462 0.043396 0.072503
C -4.351388 -0.009376 0.218729
C -5.474917 0.799851 0.527407
C -4.525778 -1.363023 -0.164108
C -6.773024 0.256188 0.454031
C -5.833346 -1.890880 -0.232221
C -6.959179 -1.093249 0.073583
H 4.212193 -1.755595 -0.777035
H 5.189450 2.500847 1.306823
H 6.555164 2.155064 0.194674
H 5.094942 2.989234 -0.431809
H 4.923772 1.340458 -2.171367
H 6.446279 0.600653 -1.537779
H 4.994091 -0.418074 -1.835928
H 5.141225 -1.142808 0.729739
H 6.584868 -0.076988 0.852906
H 5.163236 0.178592 1.939400
H 3.215842 2.940193 0.591824
H 0.566733 -1.157300 -0.385593
H 1.475687 -2.279555 -2.087421
H 3.002638 -3.146603 -2.384078
H 2.831853 -1.431563 -2.871909
H 3.152037 -2.558029 1.376147
H 3.175206 -3.803323 0.088572
H 1.663440 -2.944707 0.478090
H 0.766585 3.005032 0.748567
H -3.043551 1.591889 0.604690
H -5.336975 1.847677 0.823399
H -3.660227 -1.984411 -0.401859
H -7.636139 0.885623 0.693709
H -5.969798 -2.936529 -0.527776
H -7.967401 -1.515347 0.016703


