%chk=000127972.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127972

0 1
 O    6.904100     -0.7972000       1.269000    
 O    3.387100      -1.844700      -2.186600    
 O    4.933000      -1.281700       2.283800    
 O    4.224500       4.200000      0.6207000    
 O    5.312000       3.545700      -1.260100    
 O   -3.204600       1.133500       2.460300    
 N   -2.607400      -2.838300     -0.2535000    
 N    3.552900      -1.059300     -1.0700000E-02
 N   -3.448400     -0.1834000      0.1498000    
 N   -3.600900       1.329600      -2.210500    
 N   -3.421100       3.320600     -0.8792000    
 N   -3.220400       3.218500       1.492300    
 N   -3.252800       5.259300      0.3375000    
 C    4.940000     -0.6741000     -7.4600004E-02
 C    5.132900      0.7649000     -0.5684000    
 C   -1.245600      -2.535200     -0.4608000    
 C   -3.625800      -2.263700      -1.110000    
 C    4.525600       1.861800      0.3155000    
 C    1.448300      -1.938300     -0.8708000    
 C    2.883100      -1.620900      -1.089000    
 C  -0.7807000      -2.257600      -1.746300    
 C  -0.3637000      -2.514500      0.6196000    
 C   -3.571700     -0.7620000      -1.058900    
 C   -3.007400      -3.717200      0.8274000    
 C   0.5664000      -1.959200      -1.951200    
 C   0.9834000      -2.216000      0.4146000    
 C    5.553100     -0.9413000       1.284700    
 C   -3.646500     -1.9700000E-02  -2.217000    
 C    4.732400       3.261800     -0.2211000    
 C   -3.404000       1.164300      0.1449000    
 C   -3.477700       1.929700      -1.007400    
 C   -3.227100      -2.955200       2.059100    
 C   -3.269200       1.836300       1.456400    
 C   -3.295100       3.887800      0.3700000    
 C   -3.408700      -2.334300       3.070600    
 H    5.435300      -1.354400     -0.7793000    
 H    6.207100      0.9641000     -0.6775000    
 H    4.706800      0.8542000      -1.576500    
 H   -3.532000      -2.642900      -2.134400    
 H   -4.629500      -2.560000     -0.7790000    
 H    3.050100     -0.8276000      0.8396000    
 H    4.977200       1.820000       1.312800    
 H    3.445800       1.702700      0.4112000    
 H   -1.427400      -2.285200      -2.617600    
 H  -0.6728000      -2.726000       1.636800    
 H   -2.266200      -4.509900      0.9888000    
 H   -3.932400      -4.243100      0.5598000    
 H   0.9099000      -1.746100      -2.960000    
 H    1.641900      -2.240600       1.277800    
 H   -3.746200     -0.4754000      -3.195300    
 H   -3.475100       3.878700      -1.721800    
 H    7.301900     -0.9862000       2.145500    
 H    4.372200       5.109900      0.2854000    
 H   -3.310500       5.769900     -0.5369000    
 H   -3.161300       5.801700       1.189500    
 H   -3.569100      -1.781800       3.966700    


%chk=000127972-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127972

0 1
O 7.661259 -1.527143 0.001775
O 3.285933 -0.577389 -2.369554
O 5.938750 -2.397581 1.291824
O 5.461533 3.219280 2.182670
O 5.831283 3.479846 -0.094511
O -4.679727 1.533495 2.393918
N -2.396469 -2.633543 0.052521
N 4.025351 -1.254039 -0.282827
N -4.104819 -0.143106 0.109885
N -4.064610 1.138523 -2.435320
N -4.602160 3.178710 -1.385438
N -4.934056 3.391260 0.996554
N -5.154400 5.251819 -0.391115
C 5.410919 -0.908274 -0.611886
C 5.696941 0.624115 -0.544702
C -1.083191 -2.226333 -0.230212
C -3.500540 -2.327418 -0.875388
C 5.427728 1.219736 0.847528
C 1.632386 -1.475447 -0.828014
C 3.016112 -1.071207 -1.222704
C -0.693522 -1.832050 -1.550253
C -0.078638 -2.205470 0.788298
C -3.807004 -0.836647 -1.026321
C -2.735038 -3.196867 1.382243
C 0.630780 -1.469444 -1.832887
C 1.244692 -1.843318 0.488365
C 6.318320 -1.692621 0.327182
C -3.796172 -0.188028 -2.292626
C 5.600380 2.724726 0.874260
C -4.363809 1.187512 0.002895
C -4.337258 1.813428 -1.284275
C -2.983621 -2.198034 2.444879
C -4.669217 2.019367 1.232177
C -4.894921 3.910533 -0.226317
C -3.244866 -1.323286 3.271555
H 5.622240 -1.220729 -1.654137
H 6.744116 0.800191 -0.846042
H 5.051246 1.105763 -1.297822
H -3.300561 -2.761283 -1.875539
H -4.405472 -2.824985 -0.484584
H 3.878001 -1.797413 0.571750
H 6.090430 0.791017 1.624169
H 4.393337 0.992979 1.172566
H -1.420510 -1.827198 -2.366643
H -0.342572 -2.420595 1.826759
H -1.925923 -3.890057 1.682626
H -3.642336 -3.817964 1.259051
H 0.926035 -1.171699 -2.844651
H 1.961716 -1.814482 1.318025
H -3.570366 -0.737576 -3.212708
H -4.562356 3.592108 -2.321641
H 8.226340 -2.048885 0.633859
H 5.563731 4.209758 2.168210
H -5.142025 5.724855 -1.290961
H -5.358330 5.777273 0.456569
H -3.519367 -0.504182 3.912666


