%chk=000051182.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051182

0 1
 O   0.2648000      0.3373000       2.621700    
 O    5.061100      -1.484400     -0.9537000    
 N   -2.224700      1.4700000E-02 -0.7548000    
 N  -0.2913000       1.581300      0.7172000    
 C   -2.691300       2.213700      0.3636000    
 C   -1.163900       2.138100      -1.570500    
 C   -2.275500       2.952100     -0.9086000    
 C   -3.213400      0.8089000     -1.1200000E-02
 C   -1.704200      0.7351000      -1.925800    
 C   -1.494100       2.156900       1.329600    
 C   5.4099999E-02   2.072500     -0.6290000    
 C   -2.770300      -1.285000      -1.135300    
 C   0.4896000      0.6949000       1.466700    
 C   -3.209300      -2.060200      0.1057000    
 C   -3.804100      -3.417200     -0.2721000    
 C    1.683900      0.1254000      0.8331000    
 C   -4.211200      -4.210000      0.9598000    
 C    2.906200      0.7833000      0.9435000    
 C    1.590000      -1.070100      0.1251000    
 C    4.042300      0.2420000      0.3417000    
 C    2.726200      -1.611300     -0.4765000    
 C    3.952300     -0.9553000     -0.3682000    
 C    6.282600     -0.7629000     -0.8021000    
 H   -3.503900       2.766400      0.8510000    
 H  -0.8573000       2.635200      -2.499000    
 H   -3.130400       3.056900      -1.587700    
 H   -1.926300       3.964500     -0.6727000    
 H   -3.472400      0.3384000      0.9415000    
 H   -4.138300      0.9154000     -0.5935000    
 H   -2.490000      0.8416000      -2.685800    
 H  -0.8930000      0.1536000      -2.381400    
 H   -1.225400       3.171800       1.647900    
 H   -1.766100       1.600200       2.233000    
 H   0.8381000       1.467100      -1.089500    
 H   0.4685000       3.078800     -0.4909000    
 H   -2.001300      -1.868200      -1.657200    
 H   -3.616500      -1.170200      -1.825100    
 H   -3.992400      -1.538400      0.6632000    
 H   -2.356700      -2.201600      0.7818000    
 H   -3.071300      -3.997900     -0.8445000    
 H   -4.680200      -3.275300     -0.9158000    
 H   -4.630000      -5.177700      0.6662000    
 H   -3.349700      -4.395900       1.609200    
 H   -4.969400      -3.673900       1.539400    
 H    2.985500       1.716900       1.494400    
 H   0.6391000      -1.588500      3.4499999E-02
 H    4.962100      0.8034000      0.4651000    
 H    2.649600      -2.544300      -1.028200    
 H    6.588000     -0.7047000      0.2482000    
 H    6.228100      0.2242000      -1.273800    
 H    7.058800      -1.326800      -1.329800    


%chk=000051182-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051182

0 1
O 0.403537 1.276095 2.666769
O 4.543215 -1.970083 -1.025045
N -2.293371 0.193951 -0.762410
N -0.415410 2.013825 0.616601
C -2.879067 2.388404 0.373742
C -1.461935 2.386322 -1.662368
C -2.625139 3.126784 -0.961117
C -3.277363 0.918201 0.084314
C -1.922535 0.946096 -1.985169
C -1.629927 2.534437 1.278003
C -0.190182 2.464978 -0.774141
C -2.715597 -1.193483 -1.077206
C 0.499559 1.307537 1.391729
C -2.773877 -2.124672 0.151621
C -3.003913 -3.600280 -0.248954
C 1.583201 0.523730 0.699844
C -3.115202 -4.538390 0.971928
C 2.901104 0.568162 1.210416
C 1.286076 -0.384104 -0.353916
C 3.924570 -0.232984 0.660021
C 2.289912 -1.202555 -0.899601
C 3.615871 -1.119833 -0.402951
C 5.920776 -1.950851 -0.527049
H -3.725998 2.858406 0.912140
H -1.216524 2.885641 -2.620774
H -3.530171 3.113215 -1.599100
H -2.363965 4.186939 -0.774439
H -3.384045 0.373620 1.039332
H -4.289271 0.926484 -0.406889
H -2.781363 1.013134 -2.707410
H -1.114070 0.390719 -2.501033
H -1.496993 3.609753 1.530265
H -1.740879 1.990752 2.230747
H 0.633455 1.884479 -1.216436
H 0.134919 3.530336 -0.751407
H -1.977364 -1.606908 -1.794430
H -3.710431 -1.208574 -1.599878
H -3.585915 -1.813464 0.838099
H -1.824150 -2.028864 0.713644
H -2.170277 -3.937001 -0.898737
H -3.927131 -3.677353 -0.860060
H -3.271675 -5.588201 0.662680
H -2.196242 -4.498970 1.586098
H -3.963233 -4.246685 1.620013
H 3.115649 1.226731 2.058679
H 0.249121 -0.467797 -0.699512
H 4.937528 -0.169782 1.068352
H 2.073881 -1.919741 -1.697523
H 5.968401 -2.252117 0.537465
H 6.380197 -0.950656 -0.649955
H 6.459240 -2.684582 -1.144592


