%chk=000124256.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124256

0 1
 O  -0.9819000       1.077800      -1.833500    
 O    1.427400       4.006000       1.139800    
 N   -1.606500     -0.2315000     -1.4400000E-02
 N   -6.248500      -1.134300      0.3822000    
 C   -2.634900     -0.9800000     -0.7793000    
 C   -2.305400      -2.487200     -0.6968000    
 C   -2.083500      -2.981500      0.7363000    
 C   -1.445100     -0.6386000       1.389400    
 C   -1.065400      -2.112700       1.470400    
 C  -0.8369000      0.7447000     -0.6543000    
 C   -4.050700     -0.5405000     -0.4111000    
 C   0.2280000       1.418800      0.1732000    
 C   0.9857000       2.455500     -0.6484000    
 C    2.064500       3.235700      0.1180000    
 C    3.163900       2.386600      0.7726000    
 C    3.911300       1.467300     -0.2014000    
 C    4.938000      0.5613000      0.4891000    
 C   -4.432500      0.7876000     -0.5245000    
 C    5.667100     -0.3765000     -0.4766000    
 C   -4.980600      -1.456600      4.1200001E-02
 C    6.684600      -1.287700      0.2178000    
 C   -5.728400       1.158100     -0.1830000    
 C    7.467400      -2.173300     -0.7525000    
 C   -6.590400      0.1681000      0.2608000    
 C    8.452900      -3.067000     -1.5000000E-02
 H   -2.533800     -0.7187000      -1.841600    
 H   -3.067800      -3.094300      -1.198100    
 H   -1.372200      -2.659800      -1.251300    
 H   -3.018100      -2.991000       1.304300    
 H   -1.726600      -4.017700      0.7111000    
 H  -0.6913000     -4.4599999E-02   1.908000    
 H   -2.396800     -0.4583000       1.902300    
 H  -7.5000003E-02  -2.260000       1.021600    
 H  -0.9964000      -2.425100       2.518100    
 H  -0.2488000       1.908400       1.029000    
 H   0.9207000      0.6519000      0.5345000    
 H    1.433900       1.982000      -1.530200    
 H   0.2595000       3.186200      -1.031400    
 H    2.528200       3.946300     -0.5768000    
 H    2.730300       1.791600       1.586500    
 H    3.883800       3.054700       1.263100    
 H    4.414400       2.078500     -0.9603000    
 H    3.198900      0.8244000     -0.7296000    
 H    4.430100     -3.7799999E-02   1.255000    
 H    5.673400       1.185700       1.011100    
 H   -3.740600       1.544600     -0.8811000    
 H    4.932500     -0.9962000      -1.005400    
 H    6.181500      0.2238000      -1.237100    
 H   -4.782000      -2.515800      0.1349000    
 H    7.389500     -0.6686000      0.7868000    
 H    6.159800      -1.919200      0.9454000    
 H    2.112300       4.543900       1.572600    
 H   -6.054200       2.188800     -0.2633000    
 H    6.773300      -2.797300      -1.327100    
 H    8.011900      -1.547800      -1.469200    
 H   -7.612000      0.4051000      0.5391000    
 H    9.002500      -3.691900     -0.7258000    
 H    7.934200      -3.727200      0.6874000    
 H    9.179700      -2.470700      0.5458000    


%chk=000124256-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124256

0 1
O -1.171271 0.643957 -1.942851
O 1.272104 3.538391 1.008742
N -1.898137 -0.407103 -0.002833
N -6.775017 -0.522270 0.108041
C -3.025924 -1.042053 -0.747446
C -2.959060 -2.579335 -0.552538
C -2.898708 -2.987296 0.938898
C -1.816719 -0.740784 1.435590
C -1.724090 -2.271166 1.644925
C -1.008605 0.411988 -0.699256
C -4.362629 -0.379480 -0.374445
C 0.159512 1.020939 0.087633
C 1.008876 1.962741 -0.788171
C 2.052737 2.756628 0.016883
C 3.138109 1.913418 0.726349
C 4.061007 1.142625 -0.244916
C 5.248554 0.452084 0.462998
C -4.437139 1.034798 -0.270844
C 6.176470 -0.307625 -0.511466
C -5.569462 -1.100375 -0.182055
C 7.369617 -0.996694 0.188074
C -5.670387 1.652198 0.020706
C 8.304426 -1.742587 -0.791269
C -6.811796 0.837831 0.207463
C 9.495442 -2.426990 -0.086476
H -2.826513 -0.801869 -1.810578
H -3.812231 -3.064377 -1.061441
H -2.043731 -2.936668 -1.062988
H -3.846688 -2.719588 1.445587
H -2.787731 -4.084284 1.025869
H -0.950274 -0.234649 1.885286
H -2.725567 -0.356396 1.943958
H -0.761944 -2.637013 1.234584
H -1.729111 -2.491000 2.729734
H -0.216391 1.600072 0.952476
H 0.782602 0.202018 0.499922
H 1.510003 1.395155 -1.592332
H 0.339009 2.681084 -1.291625
H 2.563170 3.459241 -0.680537
H 2.657416 1.213460 1.437607
H 3.764375 2.597723 1.339850
H 4.454037 1.843628 -1.011685
H 3.474720 0.379807 -0.795510
H 4.862553 -0.253258 1.228758
H 5.840174 1.213589 1.013361
H -3.535927 1.637314 -0.426164
H 5.586063 -1.068931 -1.063196
H 6.560115 0.400179 -1.276146
H -5.592392 -2.192779 -0.258829
H 7.956877 -0.237480 0.746341
H 6.988972 -1.713112 0.946300
H 1.896317 4.097458 1.536933
H -5.751705 2.741059 0.099846
H 7.717732 -2.501010 -1.349158
H 8.683976 -1.026245 -1.548556
H -7.788784 1.275788 0.442161
H 10.148160 -2.950093 -0.809449
H 9.144692 -3.172304 0.652419
H 10.115013 -1.686359 0.453764


