%chk=000104232.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104232

0 1
 O   -6.057500      -1.390800      -1.192200    
 O   -5.417200       2.720300       1.267100    
 O   -2.119400      -3.489100       1.058000    
 O    7.900500      -1.288700      0.2307000    
 O    8.047600      0.7644000     -0.5323000    
 N   -4.303600      0.5283000     -0.1078000    
 N  -0.3076000      -2.159700      0.3468000    
 N    1.247600     -4.9999999E-03 -0.6337000    
 N    1.812100      0.3574000      0.4238000    
 N    7.371900     -0.1986000     -9.5700003E-02
 N    2.883600       3.549000     -0.8718000    
 C   -5.122800      0.8205000      -1.267100    
 C   -4.939800      0.3678000       1.184400    
 C   -2.905900      0.3885000     -0.2379000    
 C   -5.402500     -0.4566000      -2.041000    
 C   -4.816500       1.651500       1.987400    
 C   -2.289000     -0.8115000      0.1159000    
 C   -2.141100       1.450500     -0.7210000    
 C  -0.9069000     -0.9496000     -1.3000000E-02
 C  -0.1460000      0.1126000     -0.4950000    
 C  -0.7589000       1.312300     -0.8494000    
 C  -0.9243000      -3.314000      0.8435000    
 C   -6.334900      -2.607200      -1.872400    
 C   -5.320800       3.946800       1.978000    
 C    3.202100      0.2400000      0.2859000    
 C   7.6700002E-02  -4.410000       1.110100    
 C    3.973300       1.297300     -0.1973000    
 C    3.812900     -0.9625000      0.6421000    
 C    5.355000       1.152400     -0.3239000    
 C    5.965500     -5.0099999E-02  3.2600001E-02
 C    5.194500      -1.107700      0.5153000    
 C    3.371200       2.541600     -0.5700000    
 H   -6.076800       1.258900     -0.9494000    
 H   -4.648400       1.558700      -1.923400    
 H   -6.003600      0.1357000       1.051200    
 H   -4.511700     -0.4678000       1.749300    
 H   -6.045500     -0.2286000      -2.899000    
 H   -4.468200     -0.8930000      -2.413900    
 H   -5.325300       1.528400       2.950600    
 H   -3.762600       1.885700       2.179200    
 H   -2.938000      -1.601200      0.4649000    
 H   -2.603700       2.396200     -0.9910000    
 H  -0.1717000       2.145900      -1.225300    
 H   0.7029000      -2.192300      0.2277000    
 H   -6.995000      -2.427800      -2.726500    
 H   -5.406100      -3.080400      -2.205600    
 H   -6.840000      -3.282600      -1.176800    
 H   -5.837500       3.874800       2.939900    
 H   -4.272200       4.219200       2.131900    
 H   -5.800000       4.728200       1.382100    
 H   0.8447000      -4.053000       1.802300    
 H  -0.4273000      -5.272100       1.555500    
 H   0.5455000      -4.716600      0.1709000    
 H    3.221600      -1.792600       1.020400    
 H    5.939200       1.988900     -0.7026000    
 H    5.635500      -2.058700      0.8027000    


%chk=000104232-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104232

0 1
O -6.193365 0.683059 -2.414707
O -6.140907 0.919474 2.074995
O -2.111724 -3.138044 2.000703
O 8.518844 0.841924 -1.137390
O 8.296290 -1.097034 0.053463
N -4.226671 0.568097 -0.172895
N -0.245759 -1.997303 1.136008
N 1.356995 -0.171898 -0.072831
N 2.150784 0.724175 -0.660160
N 7.802881 -0.059646 -0.544494
N 2.849914 -2.635808 1.342746
C -4.876323 1.782805 -0.714798
C -5.138976 -0.466793 0.369009
C -2.852949 0.409613 -0.154215
C -5.163424 1.705819 -2.222373
C -5.393610 -0.327504 1.876823
C -2.261256 -0.723933 0.489559
C -1.982135 1.380526 -0.787297
C -0.867709 -0.904118 0.508977
C -0.001870 0.073001 -0.131426
C -0.607292 1.205466 -0.769290
C -0.856421 -3.051646 1.834788
C -6.527187 0.479880 -3.824396
C -6.427191 1.177923 3.485845
C 3.521249 0.426612 -0.567244
C 0.114436 -4.088755 2.378943
C 4.130411 -0.712784 0.087690
C 4.380595 1.376624 -1.200453
C 5.538072 -0.857008 0.085553
C 6.340099 0.107993 -0.553233
C 5.771416 1.233089 -1.201938
C 3.368979 -1.730045 0.756296
H -5.826646 1.915428 -0.172160
H -4.258100 2.671226 -0.498314
H -6.095259 -0.375418 -0.171130
H -4.736484 -1.471547 0.153819
H -5.529974 2.695622 -2.578389
H -4.246324 1.442832 -2.793895
H -5.991468 -1.197636 2.228461
H -4.441281 -0.303484 2.447341
H -2.861673 -1.474727 1.000089
H -2.399067 2.250959 -1.299055
H 0.060309 1.926374 -1.250223
H 0.784377 -2.012835 1.072243
H -6.925531 1.409065 -4.284122
H -5.643915 0.140773 -4.405439
H -7.303006 -0.300848 -3.848301
H -7.045144 0.368047 3.927860
H -5.493122 1.278768 4.077552
H -6.987630 2.125201 3.520322
H 0.862634 -3.628555 3.046819
H -0.459449 -4.848991 2.927180
H 0.682322 -4.568339 1.562626
H 3.899272 2.229004 -1.688200
H 6.016315 -1.710353 0.574312
H 6.428248 1.959674 -1.686454


