%chk=000131243.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131243

0 1
 O  -0.6472000      0.2124000      -1.312700    
 O    4.246800     -0.5620000       1.128600    
 N   -3.877500     -0.9020000       1.122100    
 C   -1.509700       1.285700     -0.8906000    
 C  -0.7182000       2.568900     -0.5903000    
 C   -2.346100      0.8105000      0.3071000    
 C   0.3452000       2.330000      0.4723000    
 C    1.093300       1.063400      0.1793000    
 C   0.5593000      9.1499999E-02 -0.6749000    
 C   -2.455600       1.552300      -2.070800    
 C   -3.078800     -0.4811000     -2.2800000E-02
 C    2.332400      0.8293000      0.7908000    
 C    1.273500      -1.080800     -0.9392000    
 C    2.510900      -1.298700     -0.3353000    
 C    3.038700     -0.3457000      0.5325000    
 C    2.925000       1.836900       1.727300    
 C   0.7140000      -2.103300      -1.879100    
 C    3.277700      -2.551500     -0.6177000    
 C   -3.020900      -1.162700       2.280400    
 C   -4.662600      -2.093100      0.7932000    
 H   -1.383800       3.382300     -0.2783000    
 H  -0.2110000       2.901800      -1.506800    
 H   -3.054400       1.592300      0.6104000    
 H   -1.666100      0.6454000       1.146700    
 H  -0.1128000       2.264100       1.465600    
 H    1.018000       3.195200      0.4708000    
 H   -1.908300       2.025900      -2.895600    
 H   -2.862300      0.6319000      -2.502100    
 H   -3.278800       2.218900      -1.793400    
 H   -2.380400      -1.273300     -0.3198000    
 H   -3.766500     -0.3190000     -0.8584000    
 H    3.738200       1.429000       2.335900    
 H    3.324700       2.685300       1.162200    
 H    2.176000       2.198800       2.439700    
 H    1.299300      -2.129400      -2.804400    
 H   0.7105000      -3.096100      -1.415500    
 H  -0.3249000      -1.911700      -2.164500    
 H    4.341800      -2.335100     -0.7667000    
 H    3.167800      -3.254500      0.2144000    
 H    2.972700      -3.062600      -1.534300    
 H   -2.178100      -1.821300       2.040600    
 H   -3.597800      -1.643500       3.080200    
 H   -2.644200     -0.2383000       2.728600    
 H   -5.304100      -2.376800       1.635100    
 H   -4.027400      -2.949400      0.5388000    
 H   -5.330100      -1.894600     -5.2800000E-02
 H    4.470900      -1.505800       1.120100    


%chk=000131243-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131243

0 1
O -0.591128 0.295520 -1.479452
O 4.184617 -0.527855 1.384956
N -3.692219 -0.977778 1.279795
C -1.555086 1.353549 -1.018537
C -0.742483 2.636543 -0.724241
C -2.301483 0.839271 0.241366
C 0.316057 2.410307 0.374494
C 1.079968 1.108028 0.175692
C 0.598495 0.121807 -0.726011
C -2.481561 1.548469 -2.227529
C -3.163199 -0.419358 0.007496
C 2.286444 0.871957 0.889326
C 1.300172 -1.094801 -0.958147
C 2.513684 -1.322510 -0.256624
C 2.979286 -0.338170 0.658501
C 2.833322 1.892825 1.870140
C 0.740602 -2.111860 -1.939933
C 3.332673 -2.589692 -0.451279
C -2.664812 -1.688987 2.069392
C -4.880861 -1.827988 1.062573
H -1.429834 3.453484 -0.434396
H -0.243355 2.938963 -1.664885
H -2.949825 1.647853 0.631345
H -1.554924 0.624774 1.027206
H -0.163676 2.417238 1.375110
H 1.023087 3.261537 0.381127
H -1.916577 1.970092 -3.076990
H -2.911798 0.586518 -2.552745
H -3.308357 2.237366 -1.976059
H -2.564949 -1.176536 -0.559962
H -4.034407 -0.156672 -0.621255
H 3.704762 1.485580 2.403371
H 3.153552 2.819209 1.353465
H 2.071255 2.187318 2.616290
H 1.424266 -2.271121 -2.795823
H 0.578744 -3.096105 -1.460398
H -0.222523 -1.761491 -2.338661
H 4.349523 -2.368405 -0.836722
H 3.446297 -3.161613 0.493594
H 2.862066 -3.270551 -1.175556
H -2.263391 -2.595268 1.546358
H -3.097877 -2.011162 3.033478
H -1.813194 -1.023603 2.289126
H -5.286229 -2.154696 2.037536
H -4.670205 -2.746072 0.455135
H -5.665603 -1.248307 0.544250
H 4.579783 -1.408107 1.170783


