%chk=000102995.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102995

0 1
 O   -3.368300     -7.0400000E-02 -0.3288000    
 O    1.897000     -0.3027000      0.9542000    
 O   0.8772000     -0.4307000      -1.117200    
 O   -1.755200      0.9920000      0.9066000    
 O    4.327500      -1.406600     -0.1053000    
 O    2.062000       2.543300      0.6098000    
 N   -1.413300      -1.160300      0.1295000    
 N    2.934400      0.4082000      0.3124000    
 C  -0.1578000      -1.412900      0.8217000    
 C   3.6200002E-02  -2.922100      0.7247000    
 C  -0.6811000      -3.291300     -0.5727000    
 C   -1.866400      -2.338900     -0.6013000    
 C   0.9106000     -0.6645000      8.3700001E-02
 C   -2.148000      5.2999998E-03  0.2883000    
 C   -4.198900       1.090900     -0.2199000    
 C   -3.463600       2.275000     -0.8462000    
 C   -5.494500      0.8025000     -0.9752000    
 C   -4.484900       1.347700       1.258900    
 C    4.895100      0.8413000     -0.8006000    
 C    4.143000       2.152700     -0.5632000    
 C    4.043000     -0.2202000     -0.1589000    
 C    2.906200       1.761800      0.1998000    
 H  -0.2287000      -1.049200       1.852300    
 H    1.085800      -3.231300      0.7193000    
 H  -0.4642000      -3.415000       1.567100    
 H  -0.9850000      -4.341200     -0.6069000    
 H  -2.3900000E-02  -3.101100      -1.429400    
 H   -2.728000      -2.754500     -6.7199998E-02
 H   -2.174600      -2.067700      -1.615300    
 H   -2.677600       2.706000     -0.2213000    
 H   -4.162600       3.096300      -1.045300    
 H   -3.001000       1.990900      -1.798600    
 H   -6.186900       1.649700     -0.9369000    
 H   -5.287500      0.5711000      -2.026400    
 H   -5.999100     -7.6700002E-02 -0.5586000    
 H   -4.751300      0.4171000       1.773600    
 H   -5.324200       2.044600       1.370400    
 H   -3.656000       1.795100       1.812900    
 H    5.882200      0.8593000     -0.3298000    
 H    5.003900      0.6334000      -1.869100    
 H    3.861100       2.625900      -1.508300    
 H    4.740100       2.850600      3.0800000E-02


%chk=000102995-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102995

0 1
O -3.494914 -0.070096 -0.244555
O 2.004775 -0.032902 1.016676
O 0.871319 0.167754 -1.057858
O -1.927663 1.108825 1.101540
O 3.714641 -1.639508 -0.619705
O 3.000485 2.728205 1.003405
N -1.479697 -1.009402 0.242031
N 3.158525 0.449904 0.339325
C -0.156582 -1.074847 0.868247
C 0.218652 -2.586657 0.745125
C -0.494456 -3.021100 -0.561847
C -1.817092 -2.213820 -0.560662
C 0.870128 -0.230594 0.106923
C -2.277841 0.104127 0.419871
C -4.543235 1.038056 -0.208650
C -3.965324 2.310783 -0.858846
C -5.672394 0.430763 -1.058755
C -4.992069 1.268871 1.248291
C 5.095758 0.430118 -0.993037
C 4.860916 1.865443 -0.445918
C 3.952128 -0.425388 -0.444578
C 3.575158 1.810893 0.391130
H -0.179746 -0.722458 1.912746
H 1.308347 -2.746602 0.719644
H -0.198335 -3.118772 1.618483
H -0.674197 -4.108111 -0.598919
H 0.120269 -2.745161 -1.436468
H -2.645082 -2.768992 -0.080277
H -2.145655 -1.924406 -1.572558
H -3.134485 2.715368 -0.260204
H -4.758217 3.077762 -0.931345
H -3.600997 2.092700 -1.878344
H -6.518377 1.138611 -1.118892
H -5.317356 0.218898 -2.082090
H -6.032832 -0.511774 -0.611445
H -5.345003 0.323902 1.698607
H -5.828223 1.991895 1.264686
H -4.164532 1.670144 1.854001
H 6.055992 -0.004279 -0.666846
H 5.072197 0.382430 -2.094898
H 4.722945 2.611676 -1.246176
H 5.684770 2.221142 0.195741


