%chk=000057604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057604

0 1
 O    1.054400      0.5638000     -0.4750000    
 O    7.438700      0.2609000     -0.5486000    
 O    1.413100      -1.565900       1.432700    
 O   -3.866400      -1.239500      -2.051100    
 N    4.701900      0.7382000      7.0500001E-02
 C    3.352800       1.179800     -0.2767000    
 C    2.344300      5.2299999E-02 -0.1126000    
 C    5.113500     -0.3935000     -0.7717000    
 C    5.663100       1.841600     -6.4199999E-02
 C    2.310500     -0.4566000       1.322500    
 C    6.527700     -0.8287000     -0.3989000    
 C    7.064900       1.354000      0.2908000    
 C   4.1999999E-02 -0.2834000     -0.1087000    
 C   0.2187000      -1.322400      0.8076000    
 C   -1.209300     -6.5899998E-02 -0.6862000    
 C  -0.8445000      -2.172200       1.113900    
 C   -2.275500     -0.9077000     -0.3689000    
 C   -2.092000      -1.962500      0.5257000    
 C   -3.578700     -0.6907000     -0.9770000    
 C   -4.617100      0.1849000     -0.3545000    
 C   -4.324600      0.8067000      0.8368000    
 C   -5.823400      0.3340000     -0.9982000    
 C   -5.293900       1.624200       1.418000    
 C   -6.792600       1.151700     -0.4171000    
 C   -6.527800       1.796800      0.7910000    
 H    3.055600       2.019800      0.3655000    
 H    3.307300       1.562200      -1.305900    
 H    2.535700     -0.7672000     -0.8154000    
 H    5.082400     -0.1142000      -1.832800    
 H    4.483100      -1.274600     -0.6265000    
 H    5.393000       2.665400      0.6062000    
 H    5.660700       2.225000      -1.093000    
 H    3.289300     -0.8158000       1.654300    
 H    1.982800      0.3223000       2.023300    
 H    6.577300      -1.208700      0.6289000    
 H    6.859000      -1.631800      -1.065000    
 H    7.790500       2.158300      0.1325000    
 H    7.132700       1.048200       1.342000    
 H   -1.347100      0.7516000      -1.390000    
 H  -0.7126000      -2.990700       1.816200    
 H   -2.916100      -2.626200      0.7750000    
 H   -3.377400      0.6973000       1.353400    
 H   -6.052400     -0.1574000      -1.938500    
 H   -5.088200       2.126800       2.358600    
 H   -7.753600       1.286400     -0.9049000    
 H   -7.282500       2.433400       1.243400    


%chk=000057604-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057604

0 1
O 0.822874 0.313582 0.147871
O 7.270890 0.935179 -0.972124
O 1.548612 -2.172158 1.507476
O -4.620008 -2.273046 -0.277371
N 4.536751 0.718013 -0.009641
C 3.109396 1.080615 0.146800
C 2.226720 -0.173247 0.215963
C 4.895689 0.359932 -1.410100
C 5.454460 1.774179 0.496531
C 2.421245 -0.974584 1.507328
C 6.359684 -0.106060 -1.472520
C 6.909040 1.283374 0.411038
C -0.133369 -0.680605 0.462436
C 0.229719 -1.900346 1.103581
C -1.473576 -0.440125 0.112664
C -0.752575 -2.887827 1.340333
C -2.468384 -1.419563 0.370076
C -2.085293 -2.655115 0.967699
C -3.899497 -1.249008 -0.040128
C -4.497759 0.125554 -0.182469
C -4.095807 1.226264 0.621860
C -5.566416 0.296518 -1.103930
C -4.743410 2.475609 0.495723
C -6.200174 1.547605 -1.241386
C -5.789104 2.642426 -0.441795
H 2.988117 1.649641 1.088283
H 2.729061 1.729339 -0.678291
H 2.398644 -0.839632 -0.653284
H 4.755950 1.233563 -2.095029
H 4.240845 -0.456949 -1.765885
H 5.202497 1.994807 1.551273
H 5.354601 2.720956 -0.090607
H 3.451909 -1.351537 1.582843
H 2.173085 -0.349907 2.388445
H 6.480933 -1.032265 -0.869979
H 6.671478 -0.295296 -2.512827
H 7.614338 2.076378 0.709582
H 7.042115 0.395883 1.067621
H -1.714596 0.495209 -0.401001
H -0.445846 -3.820244 1.823938
H -2.856416 -3.414323 1.128475
H -3.303286 1.096339 1.366411
H -5.886008 -0.569640 -1.692790
H -4.437099 3.314340 1.130762
H -7.015009 1.672008 -1.963182
H -6.285722 3.614163 -0.543271


