%chk=000039056.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039056

0 1
 O    3.384100      0.1244000      0.3969000    
 O    2.704900      -1.584100     -0.9628000    
 N    1.307200      0.2448000     -0.5992000    
 C   -1.122700     -7.2700001E-02  -1.083100    
 C   0.3281000     -0.1653000      -1.618100    
 C   -1.387800       1.230300     -0.3534000    
 C    1.104200       1.538800      6.4999998E-02
 C  -0.3307000       1.978600      0.1899000    
 C   -1.485000      -1.302200     -0.2537000    
 C   0.5248000      0.6508000      -2.903800    
 C   -2.707200       1.688400     -0.2030000    
 C  -0.6120000       3.177300      0.8635000    
 C    2.485800     -0.4977000     -0.4304000    
 C   -2.050700      -2.408400     -0.8760000    
 C   -1.245300      -1.302200       1.115100    
 C   -2.973100       2.879100      0.4715000    
 C   -1.925500       3.624100       1.003700    
 C   -2.381800      -3.531600     -0.1181000    
 C   -1.576500      -2.425500       1.873000    
 C   -2.144700      -3.540100       1.256500    
 C    4.619500     -0.5654000      0.6184000    
 C    5.484400      0.2585000       1.548300    
 H   -1.790700     -7.5300001E-02  -1.957800    
 H   0.5339000      -1.207300      -1.895400    
 H    1.661300       2.281300     -0.5191000    
 H    1.548600       1.492000       1.065700    
 H   0.3370000       1.718000      -2.747900    
 H    1.552000      0.5489000      -3.270900    
 H  -0.1501000      0.3002000      -3.691600    
 H   -3.536300       1.117100     -0.6138000    
 H   0.1967000       3.769500       1.285200    
 H   -2.237500      -2.414300      -1.946200    
 H  -0.7901000     -0.4612000       1.627300    
 H   -3.996900       3.224600      0.5807000    
 H   -2.130000       4.552600       1.528600    
 H   -2.823400      -4.400000     -0.5983000    
 H   -1.388300      -2.434000       2.942700    
 H   -2.401400      -4.415100       1.846300    
 H    4.415700      -1.542100       1.071000    
 H    5.134800     -0.7067000     -0.3381000    
 H    6.438500     -0.2402000       1.739800    
 H    5.681300       1.245800       1.117500    
 H    4.974100      0.4245000       2.502800    


%chk=000039056-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039056

0 1
O 3.222138 0.042173 0.428149
O 2.581857 -1.573218 -1.155882
N 1.255299 0.324283 -0.737968
C -1.166489 -0.038501 -1.121999
C 0.257159 -0.051411 -1.768394
C -1.417388 1.288274 -0.407857
C 1.114506 1.629222 -0.067159
C -0.338615 2.063365 0.089502
C -1.375045 -1.263875 -0.220089
C 0.351182 0.865190 -3.010154
C -2.743869 1.755510 -0.224771
C -0.604755 3.290648 0.748051
C 2.353418 -0.491151 -0.548986
C -1.854763 -2.471765 -0.789474
C -1.061184 -1.245149 1.161943
C -3.005550 2.971246 0.437838
C -1.926135 3.746220 0.927570
C -2.011959 -3.633971 -0.003150
C -1.215103 -2.406636 1.951950
C -1.689911 -3.605796 1.373579
C 4.414260 -0.801399 0.722130
C 5.218553 -0.063987 1.788774
H -1.888573 -0.120144 -1.959458
H 0.508155 -1.083927 -2.064173
H 1.669134 2.412832 -0.628505
H 1.599683 1.558659 0.920992
H 0.095626 1.912799 -2.770279
H 1.373247 0.837797 -3.426852
H -0.346591 0.517374 -3.793546
H -3.575874 1.149947 -0.604991
H 0.233597 3.890347 1.125681
H -2.106780 -2.501761 -1.857774
H -0.710038 -0.316211 1.624357
H -4.037048 3.315556 0.570748
H -2.115521 4.694555 1.442562
H -2.385059 -4.557341 -0.460787
H -0.967030 -2.374851 3.019188
H -1.811091 -4.505569 1.987281
H 4.068662 -1.793437 1.064874
H 4.985104 -0.943181 -0.213375
H 6.121888 -0.647345 2.045026
H 5.537346 0.928686 1.426594
H 4.622757 0.074145 2.707533


