%chk=000108690.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108690

0 1
 I    2.225500       2.906800       1.844200    
 O   -3.450400      -3.205400       1.052400    
 O    7.098100     -0.8469000     -0.4940000    
 O    7.171300      0.7275000       1.034100    
 N   -5.101700      0.9997000     -0.3071000    
 N   -1.457200      -1.964700      0.8430000    
 N   0.3899000      0.1300000      0.3663000    
 N    1.020700      0.8710000     -0.4201000    
 N    6.537500      3.2299999E-02  0.2039000    
 N    1.749800      -1.743600      -2.739100    
 C   -3.720100      0.7747000     -0.1365000    
 C   -6.053200     -6.9899999E-02 -7.9400003E-02
 C   -5.587700       2.299500     -0.7258000    
 C   -3.262200     -0.4792000      0.2680000    
 C   -2.811400       1.806700     -0.3712000    
 C   -1.895600     -0.7012000      0.4378000    
 C   -6.122300     -0.9750000      -1.294500    
 C   -5.653000       3.240100      0.4620000    
 C  -0.9913000      0.3314000      0.2025000    
 C   -1.444900       1.584800     -0.2014000    
 C   -2.230000      -3.099200       1.117800    
 C    2.401700      0.6695000     -0.2558000    
 C    3.046900     -0.3023000      -1.020700    
 C   -1.373700      -4.270800       1.527900    
 C    3.126600       1.430200      0.6615000    
 C    5.142400      0.2474000      4.8900001E-02
 C    4.417200     -0.5133000     -0.8683000    
 C    4.497000       1.219100      0.8139000    
 C    2.329900      -1.099100      -1.970500    
 H   -7.053100      0.3565000      7.6700002E-02
 H   -5.860000     -0.6280000      0.8435000    
 H   -6.601700       2.201600      -1.135300    
 H   -5.005100       2.723600      -1.551200    
 H   -3.974300      -1.261800      0.4481000    
 H   -3.101200       2.803000     -0.6857000    
 H   -6.412300     -0.4088000      -2.186500    
 H   -5.171400      -1.467600      -1.515700    
 H   -6.872600      -1.756600      -1.137100    
 H   -6.311300       2.839100       1.240700    
 H   -4.676500       3.418600      0.9205000    
 H   -6.056400       4.209200      0.1509000    
 H  -0.7771000       2.424500     -0.3755000    
 H  -0.4488000      -2.057900      0.9473000    
 H  -0.6933000      -4.534300      0.7133000    
 H   -2.008000      -5.132400       1.754100    
 H  -0.7947000      -4.013200       2.419200    
 H    4.902700      -1.276100      -1.474100    
 H    5.051900       1.818500       1.532500    


%chk=000108690-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108690

0 1
I 2.818606 3.808930 -0.336002
O -3.354433 -3.320439 0.310415
O 7.198605 -1.214770 0.473380
O 7.589200 1.021920 0.203747
N -5.188193 1.067487 -0.232105
N -1.396997 -2.018472 0.248564
N 0.340629 0.061330 0.062139
N 1.192134 1.082787 -0.035463
N 6.797057 0.003870 0.303516
N 1.641885 -2.807367 0.459499
C -3.825188 0.839983 -0.165541
C -6.174583 -0.022528 -0.019067
C -5.756275 2.407612 -0.519020
C -3.320105 -0.487247 0.010459
C -2.884103 1.938692 -0.267445
C -1.938275 -0.733118 0.085328
C -6.495301 -0.814487 -1.306379
C -5.962349 3.265244 0.749953
C -1.000760 0.374543 -0.019279
C -1.521540 1.700296 -0.195763
C -2.089639 -3.237244 0.357247
C 2.542055 0.729695 0.054395
C 3.068127 -0.609544 0.242601
C -1.192871 -4.452018 0.539523
C 3.500559 1.794816 -0.048526
C 5.345866 0.246803 0.218165
C 4.459591 -0.840079 0.323261
C 4.879510 1.570550 0.031163
C 2.216620 -1.762030 0.354092
H -7.097074 0.443868 0.372858
H -5.805301 -0.701677 0.768564
H -6.726990 2.250177 -1.023713
H -5.112727 2.934389 -1.244723
H -3.979854 -1.351045 0.073842
H -3.239047 2.965550 -0.381511
H -6.896931 -0.150804 -2.093377
H -5.595865 -1.315720 -1.701206
H -7.251626 -1.590505 -1.091447
H -6.637897 2.760905 1.463811
H -5.004805 3.454321 1.265219
H -6.412120 4.238842 0.483330
H -0.797739 2.518252 -0.263045
H -0.366685 -2.063787 0.292022
H -0.465380 -4.542527 -0.285300
H -1.825661 -5.349614 0.580240
H -0.600591 -4.372405 1.467862
H 4.857403 -1.848352 0.465498
H 5.605662 2.382916 -0.046278


