%chk=000086618.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086618

0 1
 O   -4.112900       2.061400      3.2600001E-02
 N  -0.4131000      -1.256200     -0.4347000    
 N   -2.918300      0.1332000     -0.4680000    
 C  -0.4902000      0.1527000     -2.1900000E-02
 C   -1.659000      -1.960000     -9.6699998E-02
 C   -1.666800      0.8524000     -0.7012000    
 C   -2.862100      -1.299600     -0.7725000    
 C   0.7337000      -1.912900      0.1914000    
 C   -4.067200      0.8368000     -0.1090000    
 C   -5.314400      2.0300001E-02  0.1181000    
 C    2.023900      -1.250200     -0.1911000    
 C   -6.475900      0.9212000      0.5008000    
 C    2.865400     -0.7064000      0.7025000    
 C   -7.750500      0.1461000      0.8047000    
 C    4.148600     -6.1099999E-02  0.3782000    
 C    4.375800      0.3885000     -0.9130000    
 C    5.105700      8.4799998E-02   1.370100    
 C    5.591600      0.9996000      -1.220400    
 C    6.321300      0.6960000       1.062600    
 C    6.564200       1.153400     -0.2326000    
 H   0.4098000      0.7086000     -0.3063000    
 H  -0.5985000      0.2307000       1.068400    
 H   -1.813000      -1.971100      0.9906000    
 H   -1.603900      -3.002300     -0.4328000    
 H   -1.741500       1.883700     -0.3410000    
 H   -1.515500      0.8954000      -1.786900    
 H   -2.786500      -1.391500      -1.863000    
 H   -3.773200      -1.818100     -0.4680000    
 H   0.7903000      -2.954000     -0.1509000    
 H   0.6191000      -1.945300       1.283200    
 H   -5.124600     -0.6988000      0.9227000    
 H   -5.561500     -0.5233000     -0.8002000    
 H    2.257200      -1.269200      -1.251900    
 H   -6.681800       1.632700     -0.3086000    
 H   -6.217100       1.516900       1.385300    
 H    2.607500     -0.7389000       1.758800    
 H   -7.598100     -0.5439000       1.640700    
 H   -8.071300     -0.4340000     -6.6299997E-02
 H   -8.558500      0.8337000       1.073100    
 H    3.640000      0.3105000      -1.707000    
 H    4.932100     -0.2675000       2.383400    
 H    5.779300       1.360700      -2.227400    
 H    7.078900      0.8159000       1.831600    
 H    7.510200       1.630400     -0.4715000    


%chk=000086618-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086618

0 1
O -4.221371 2.081735 0.390010
N -0.462648 -1.036359 -0.258450
N -3.027465 0.257136 -0.410769
C -0.635601 0.353420 0.237508
C -1.709108 -1.816494 -0.080239
C -1.783002 1.051353 -0.513340
C -2.872717 -1.144612 -0.841705
C 0.725332 -1.715265 0.321249
C -4.202570 0.858637 0.039080
C -5.469106 -0.014377 0.091112
C 2.020211 -1.098310 -0.156982
C -6.711338 0.784600 0.535995
C 3.038880 -0.720326 0.666274
C -7.972777 -0.101569 0.604321
C 4.345667 -0.153141 0.273053
C 4.731497 0.052179 -1.083458
C 5.270330 0.209707 1.292990
C 5.988977 0.602256 -1.401343
C 6.530929 0.759497 0.976227
C 6.896946 0.959669 -0.374308
H 0.305764 0.906717 0.071653
H -0.852606 0.368874 1.336281
H -1.992272 -1.910225 1.000684
H -1.553823 -2.835595 -0.482196
H -1.989552 2.048491 -0.092359
H -1.506321 1.159369 -1.581427
H -2.644355 -1.172433 -1.927303
H -3.802883 -1.706218 -0.668511
H 0.683195 -2.773514 -0.012335
H 0.703228 -1.727955 1.441330
H -5.307446 -0.862956 0.788060
H -5.654511 -0.463390 -0.906367
H 2.096775 -0.982517 -1.247143
H -6.868621 1.626207 -0.162988
H -6.509772 1.246863 1.519150
H 2.889890 -0.843127 1.750725
H -7.841126 -0.933974 1.322295
H -8.209641 -0.543991 -0.382477
H -8.852097 0.484390 0.928331
H 4.046194 -0.221639 -1.893335
H 4.991705 0.058167 2.343595
H 6.266796 0.752747 -2.450822
H 7.225231 1.031152 1.779268
H 7.874382 1.386125 -0.625432


