%chk=000058468.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058468

0 1
 O  -0.1863000       2.237300     -0.3869000    
 O    3.308100     -0.5148000     -0.2611000    
 O   0.6314000       1.404800       1.578300    
 N   -3.353100      0.4575000      0.2244000    
 N    2.103500       2.057100     -9.9699996E-02
 C   -3.624500     -0.9559000      0.5491000    
 C   -5.026700      -1.083100       1.175000    
 C   -4.351600       1.052200     -0.6711000    
 C   -6.116200     -0.4757000      0.2964000    
 C   -5.757400      0.9569000     -7.8000002E-02
 C   -1.999700      0.6815000     -0.2760000    
 C   -3.451600      -1.940800     -0.6177000    
 C   -1.509700       2.069600      0.1041000    
 C    3.321300       1.724100      0.6255000    
 C   0.8343000       1.862900      0.4551000    
 C    2.285900       2.605300      -1.440100    
 C    3.365700      0.2322000      0.9489000    
 C    3.415100       2.563500       1.893200    
 C    2.391000       4.116200      -1.412000    
 C    2.712400      -1.746600     -0.1971000    
 C    1.589200      -2.037000     -0.9717000    
 C    3.241600      -2.716100      0.6548000    
 C   0.9955000      -3.297000     -0.8942000    
 C    1.009000      -1.011800      -1.889100    
 C    2.648000      -3.975900      0.7322000    
 C    1.524900      -4.266300     -4.2199999E-02
 H   -2.914600      -1.260900       1.330100    
 H   -5.260700      -2.134900       1.377800    
 H   -5.031100     -0.5716000       2.147000    
 H   -4.142400       2.115000     -0.8350000    
 H   -4.334600      0.5737000      -1.658200    
 H   -6.245700      -1.075100     -0.6120000    
 H   -7.074900     -0.4927000      0.8267000    
 H   -5.819600       1.591400      0.8154000    
 H   -6.489300       1.345700     -0.7951000    
 H   -1.308800     -3.9700001E-02  0.1796000    
 H   -1.921000      0.5198000      -1.359000    
 H   -4.117600      -1.718500      -1.456500    
 H   -2.423800      -1.935000     -0.9950000    
 H   -3.666500      -2.963300     -0.2874000    
 H   -1.566400       2.245100       1.185600    
 H   -2.115000       2.848200     -0.3707000    
 H    4.181600       1.966600     -1.0500000E-02
 H    1.437900       2.319700      -2.071900    
 H    3.174100       2.160200      -1.902300    
 H    2.559300     -6.1299998E-02   1.631000    
 H    4.314500     -1.6000000E-03   1.447500    
 H    3.313300       3.630500       1.667300    
 H    4.390000       2.417600       2.371600    
 H    2.652900       2.306800       2.634600    
 H    1.498200       4.568300     -0.9679000    
 H    3.256000       4.440500     -0.8246000    
 H    2.503700       4.509100      -2.427100    
 H    4.120900      -2.507400       1.258000    
 H   0.1186000      -3.538100      -1.489400    
 H   0.2492000      -1.442100      -2.550500    
 H    1.786700     -0.5825000      -2.529400    
 H   0.5380000     -0.2159000      -1.315500    
 H    3.061200      -4.731300       1.394200    
 H    1.062600      -5.247200      1.8300001E-02


%chk=000058468-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058468

0 1
O -0.549908 2.340408 -0.221762
O 3.156962 -0.547567 -0.449395
O 0.321714 1.328135 1.716540
N -3.906746 0.728598 0.462503
N 1.723327 1.986079 -0.053978
C -4.318455 -0.531649 1.150953
C -5.720662 -0.323301 1.779980
C -4.855458 1.190343 -0.577986
C -6.763702 0.161305 0.744961
C -6.254379 1.431901 0.025953
C -2.488347 0.783291 0.049602
C -4.258385 -1.800834 0.249696
C -1.911206 2.178638 0.360405
C 2.965772 1.584784 0.666952
C 0.505101 1.837990 0.571253
C 1.855658 2.493971 -1.441863
C 3.028214 0.062846 0.885356
C 3.169504 2.350200 1.994479
C 2.230968 3.989696 -1.500385
C 3.187638 -1.952061 -0.533107
C 3.289931 -2.475362 -1.856451
C 3.128586 -2.808463 0.592182
C 3.331552 -3.879159 -2.007987
C 3.349891 -1.534737 -3.042823
C 3.172158 -4.209545 0.405323
C 3.274319 -4.750903 -0.893036
H -3.596733 -0.678027 1.979178
H -6.053677 -1.266943 2.253955
H -5.628193 0.438151 2.578611
H -4.467754 2.131585 -1.011108
H -4.937910 0.460736 -1.424375
H -6.959610 -0.634212 -0.002278
H -7.727990 0.364474 1.248608
H -6.186095 2.264059 0.753457
H -6.957012 1.737922 -0.773470
H -1.908370 0.035590 0.619909
H -2.344242 0.559747 -1.033762
H -4.997897 -1.765929 -0.569902
H -3.255393 -1.917466 -0.200505
H -4.464006 -2.705635 0.851293
H -1.867572 2.335075 1.450843
H -2.500438 2.977397 -0.118131
H 3.794213 1.845446 -0.018174
H 0.898056 2.329138 -1.958883
H 2.623569 1.878131 -1.945866
H 2.111747 -0.291018 1.392428
H 3.915788 -0.192758 1.499930
H 3.118468 3.438297 1.815219
H 4.163254 2.116842 2.418863
H 2.392799 2.081648 2.728285
H 1.446929 4.602303 -1.022545
H 3.190358 4.188328 -0.987666
H 2.334664 4.316456 -2.551744
H 3.046993 -2.402298 1.604459
H 3.409577 -4.294738 -3.020011
H 3.402342 -2.096783 -3.990856
H 4.231317 -0.869348 -2.980994
H 2.462259 -0.875562 -3.072949
H 3.125117 -4.870484 1.278058
H 3.308193 -5.835531 -1.040444


