%chk=000086096.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086096

0 1
 O    3.195700      -1.529100     -0.7220000    
 O  -0.3009000      0.2485000     -0.1793000    
 O  -0.6143000       1.962600       1.368400    
 O    2.446100      -1.198800       1.423500    
 O   -6.568800      5.5100001E-02 -0.8869000    
 O   -6.325700      -1.384200      0.7526000    
 N    2.262500      0.4479000     -0.2009000    
 N   -5.846100     -0.5752000     -7.8000002E-02
 C    1.994400       2.895000      0.1369000    
 C    1.628700       1.464400      0.6011000    
 C    3.525500       3.093200      0.1499000    
 C    1.390900       3.226600      -1.235200    
 C   0.1150000       1.275000      0.6603000    
 C    3.616200      -2.850800     -0.3654000    
 C    3.958600       4.517700     -0.1696000    
 C    2.617900     -0.7977000      0.2772000    
 C    4.659900      -2.746000      0.7457000    
 C    2.395000      -3.638700      0.1067000    
 C    4.221300      -3.493200      -1.611800    
 C   -1.682500      4.2599998E-02 -0.1543000    
 C   -2.506400      0.7321000      -1.044000    
 C   -2.238100     -0.8515000      0.7609000    
 C   -3.885800      0.5273000      -1.018600    
 C   -3.617500      -1.056200      0.7862000    
 C   -4.441500     -0.3669000     -0.1035000    
 H    1.555000       3.599700      0.8564000    
 H    1.981600       1.322100       1.631200    
 H    3.909900       2.831400       1.143500    
 H    4.009400       2.418000     -0.5658000    
 H   0.3116000       3.047800      -1.258300    
 H    1.534000       4.283600      -1.481300    
 H    1.850100       2.633500      -2.032400    
 H    2.410500      0.6262000      -1.189400    
 H    5.038300       4.622000     -2.0300001E-02
 H    3.456100       5.238100      0.4833000    
 H    3.745600       4.780400      -1.209700    
 H    5.398200      -1.968500      0.5172000    
 H    4.251700      -2.520400       1.734000    
 H    5.196300      -3.695900      0.8572000    
 H    2.063700      -3.400300       1.120500    
 H    1.540200      -3.474800     -0.5598000    
 H    2.613200      -4.713400      0.1141000    
 H    4.569400      -4.512900      -1.417400    
 H    3.488400      -3.526300      -2.426100    
 H    5.067600      -2.902600      -1.981000    
 H   -2.078500       1.429600      -1.759000    
 H   -1.600500      -1.391600       1.455500    
 H   -4.496600       1.081800      -1.726400    
 H   -4.015200      -1.760400       1.512600    


%chk=000086096-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086096

0 1
O 2.977864 -1.698971 -0.722357
O -0.738117 0.511795 0.111263
O -0.598536 1.917748 1.999211
O 3.453586 -0.772402 1.416411
O -6.645058 -1.104802 -1.606744
O -7.148703 0.213452 0.186769
N 1.880872 0.158788 -0.051578
N -6.306806 -0.345259 -0.617635
C 1.960218 2.654922 0.440978
C 1.466854 1.217771 0.862424
C 3.509562 2.705225 0.501078
C 1.402284 3.065856 -0.940890
C -0.044798 1.263157 1.097452
C 3.973047 -2.848807 -0.595820
C 4.092300 4.119498 0.289636
C 2.832913 -0.776766 0.318344
C 5.397189 -2.277542 -0.447723
C 3.567000 -3.745331 0.590587
C 3.790059 -3.571896 -1.941125
C -2.149002 0.365862 0.028562
C -2.557537 -0.467152 -1.041733
C -3.093289 0.970723 0.896859
C -3.923544 -0.705089 -1.259924
C -4.463464 0.728304 0.675483
C -4.863016 -0.100326 -0.393962
H 1.558153 3.346841 1.209535
H 1.931779 0.987786 1.840971
H 3.840790 2.317052 1.484289
H 3.923450 2.013036 -0.258694
H 0.298818 3.000900 -0.979438
H 1.674222 4.108667 -1.176978
H 1.815461 2.424195 -1.742132
H 1.384341 0.020522 -0.931183
H 5.189940 4.109278 0.417370
H 3.675693 4.837311 1.021489
H 3.880964 4.506679 -0.723283
H 5.627711 -1.592798 -1.283315
H 5.506749 -1.734377 0.503959
H 6.129186 -3.105517 -0.469716
H 3.664873 -3.204037 1.544575
H 2.523570 -4.088875 0.475785
H 4.221376 -4.635763 0.619231
H 4.463793 -4.445718 -1.992340
H 2.750101 -3.923209 -2.055600
H 4.026000 -2.896190 -2.781246
H -1.795324 -0.917347 -1.683421
H -2.765859 1.607555 1.718002
H -4.273007 -1.342040 -2.076008
H -5.224558 1.174091 1.321084


