%chk=000008633.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008633

0 1
 O   0.3840000     -0.5608000     -0.3975000    
 O  -0.8597000     -0.1669000      -2.294200    
 N   -3.232500       1.007700      -1.593500    
 C    2.743900     -0.1420000     -8.2999999E-03
 C    1.516400      0.1562000     -0.8865000    
 C    2.564800      0.4258000       1.407900    
 C    1.021800       2.227100      0.5092000    
 C    1.198400       1.654400     -0.9063000    
 C    2.247800       1.920100       1.378300    
 C    3.040900      -1.641300      5.8499999E-02
 C   0.7662000       3.732400      0.4521000    
 C    3.185400      -2.220100      -1.346000    
 C    4.300100      -1.900200      0.8808000    
 C  -0.7695000     -0.3970000      -1.098100    
 C   -1.946900     -0.5348000     -0.2042000    
 C   -3.112300      0.1552000     -0.4734000    
 C   -1.827400      -1.369700      0.8906000    
 C   -4.201400      5.4000001E-03  0.3851000    
 C   -2.916500      -1.519600       1.749100    
 C   -4.103500     -0.8320000       1.496400    
 H    3.605600      0.3681000     -0.4631000    
 H    1.712400     -0.1519000      -1.920200    
 H    3.475700      0.3064000       2.002800    
 H    1.763200     -0.1067000       1.935000    
 H   0.1437000       1.759200      0.9728000    
 H   0.3037000       1.880700      -1.495200    
 H    2.026900       2.177700      -1.402700    
 H    2.076000       2.272600       2.402500    
 H    3.120800       2.466200      0.9982000    
 H    2.214300      -2.169500      0.5516000    
 H  -0.1301000       3.951600     -0.1376000    
 H   0.6128000       4.138300       1.457500    
 H    1.609400       4.263400     -2.6000000E-03
 H    3.897100      -1.645000      -1.948200    
 H    3.549700      -3.252800      -1.301800    
 H    2.228500      -2.257400      -1.875400    
 H    5.138200      -1.281300      0.5427000    
 H    4.608500      -2.948400      0.7937000    
 H    4.139100      -1.719100       1.947600    
 H  -0.9219000      -1.929600       1.105400    
 H   -5.132600      0.5350000      0.2000000    
 H   -2.841800      -2.174300       2.612500    
 H   -4.951700     -0.9494000       2.164400    
 H   -2.453200       1.152200      -2.220200    
 H   -4.100300       1.501200      -1.756800    


%chk=000008633-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008633

0 1
O 0.243622 0.129746 -0.063280
O -0.856306 0.209825 -2.115970
N -3.432157 -0.518308 -2.170122
C 2.685024 -0.018351 0.009541
C 1.497145 0.635613 -0.732626
C 2.789877 0.546053 1.453030
C 1.608565 2.723603 0.775380
C 1.502885 2.173890 -0.667070
C 2.833878 2.092105 1.479503
C 2.642460 -1.579233 -0.037163
C 1.673841 4.264675 0.780537
C 2.476518 -2.120568 -1.480052
C 3.908059 -2.202685 0.603588
C -0.885098 -0.029912 -0.864350
C -2.065995 -0.500254 -0.118182
C -3.312948 -0.729858 -0.811534
C -1.994280 -0.732172 1.285929
C -4.436503 -1.187516 -0.050855
C -3.106397 -1.180257 2.013670
C -4.332910 -1.406982 1.329333
H 3.592254 0.307235 -0.550681
H 1.449716 0.314687 -1.787368
H 3.695394 0.148166 1.946125
H 1.918106 0.190581 2.038721
H 0.699031 2.405325 1.326701
H 0.597172 2.560527 -1.171515
H 2.373755 2.531805 -1.256867
H 2.891217 2.448743 2.527031
H 3.758543 2.443608 0.972210
H 1.759518 -1.902144 0.551961
H 0.785181 4.707692 0.293021
H 1.726736 4.659241 1.812661
H 2.570350 4.622308 0.236913
H 3.287253 -1.750076 -2.138279
H 2.522658 -3.225396 -1.482693
H 1.511064 -1.831774 -1.930939
H 4.824298 -1.850821 0.089312
H 3.878714 -3.304778 0.518830
H 4.003376 -1.956128 1.675527
H -1.038428 -0.549083 1.784603
H -5.387318 -1.365634 -0.567893
H -3.032953 -1.353460 3.091610
H -5.210846 -1.757794 1.884384
H -2.602454 -0.189870 -2.679157
H -4.317613 -0.685272 -2.640625


