%chk=000124285.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124285

0 1
 O   0.7743000      0.5721000      0.9405000    
 N   -2.610300       3.214900      0.3821000    
 C   0.6290000     -0.2592000     -0.2348000    
 C  -0.8082000     -3.2600001E-02 -0.7828000    
 C   -1.106700       1.370700     -0.2269000    
 C   0.9195000      -1.706400      0.1746000    
 C  -0.4162000       1.342500       1.122400    
 C   -1.808700      -1.118900     -0.4134000    
 C    1.693300      0.2099000      -1.236200    
 C  -0.1438000      -2.230200       1.134300    
 C   -2.543700       1.854200     -0.1362000    
 C   -1.504400      -2.141200      0.5032000    
 C   -3.065300      -1.141500      -1.044900    
 C    3.069600      0.1487000     -0.6398000    
 C   -2.477300      -3.097000      0.8371000    
 C   -4.019900      -2.106300     -0.7222000    
 C   -3.730100      -3.077200      0.2290000    
 C    3.577400       1.253800      3.3399999E-02
 C    3.823200      -1.012500     -0.7666000    
 C   -4.000100       3.668100      0.4644000    
 C   -1.828600       4.125400     -0.4566000    
 C    4.856400       1.197000      0.5873000    
 C    5.102100      -1.069500     -0.2125000    
 C    5.618600      3.5300002E-02  0.4646000    
 H  -0.7832000     -9.2000002E-03  -1.881100    
 H  -0.5371000       2.036200     -0.8872000    
 H    1.863200      -1.792900      0.7218000    
 H   0.9707000      -2.354000     -0.7102000    
 H  -0.1375000       2.336000       1.485000    
 H   -1.023800      0.8517000       1.890800    
 H    1.504000       1.243900      -1.552100    
 H    1.654200     -0.3918000      -2.153800    
 H  -0.1440000      -1.665500       2.073700    
 H   9.2299998E-02  -3.273100       1.378400    
 H   -3.112900       1.198700      0.5337000    
 H   -3.010800       1.801800      -1.127600    
 H   -3.312500     -0.4004000      -1.801000    
 H   -2.254800      -3.875300       1.563200    
 H   -4.988200      -2.097500      -1.213900    
 H   -4.472200      -3.826900      0.4865000    
 H    2.995300       2.165800      0.1339000    
 H    3.440700      -1.876500      -1.302700    
 H   -4.583800       3.004400       1.112000    
 H   -4.054300       4.666800      0.9121000    
 H   -4.482700       3.703300     -0.5191000    
 H   -2.066800       4.025400      -1.522000    
 H   -2.026900       5.166700     -0.1730000    
 H  -0.7513000       4.002800     -0.3101000    
 H    5.258900       2.057500       1.113800    
 H    5.696800      -1.972900     -0.3109000    
 H    6.614700     -8.7000001E-03  0.8952000    


%chk=000124285-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124285

0 1
O 0.807939 0.812109 1.009966
N -2.824042 3.206630 0.287901
C 0.705752 -0.193365 -0.108287
C -0.713975 0.027078 -0.760205
C -1.087895 1.484783 -0.277162
C 0.891904 -1.583988 0.527464
C -0.472591 1.537405 1.128055
C -1.749738 -1.048598 -0.427150
C 1.823773 0.129163 -1.147095
C -0.288540 -1.923067 1.459870
C -2.576916 1.868238 -0.306193
C -1.584786 -1.946244 0.666729
C -2.907263 -1.168840 -1.240618
C 3.256694 -0.014019 -0.650722
C -2.597234 -2.898846 0.943701
C -3.910643 -2.118985 -0.958928
C -3.761544 -2.983257 0.150816
C 3.792256 0.871064 0.323003
C 4.096050 -1.033532 -1.169382
C -4.258652 3.417335 0.574531
C -2.261432 4.315822 -0.509040
C 5.128203 0.737838 0.760728
C 5.434398 -1.169783 -0.733488
C 5.956568 -0.281532 0.234002
H -0.602861 0.051779 -1.861346
H -0.516065 2.177418 -0.926437
H 1.841764 -1.579254 1.090094
H 0.975685 -2.350331 -0.269082
H -0.250385 2.557923 1.476157
H -1.138051 1.043819 1.867945
H 1.650275 1.164149 -1.502846
H 1.674554 -0.542972 -2.014790
H -0.320294 -1.163987 2.266360
H -0.128744 -2.900761 1.950372
H -3.151090 1.130405 0.283161
H -2.962197 1.810409 -1.359268
H -3.020427 -0.509969 -2.111041
H -2.458005 -3.590833 1.783682
H -4.795365 -2.191418 -1.601308
H -4.532650 -3.727226 0.380629
H 3.144161 1.644848 0.745696
H 3.698629 -1.724719 -1.923982
H -4.626633 2.615454 1.238567
H -4.395370 4.382868 1.094021
H -4.899399 3.427248 -0.344341
H -2.680679 4.366347 -1.547270
H -2.477990 5.275048 -0.006231
H -1.164760 4.221081 -0.587649
H 5.524624 1.429288 1.513466
H 6.066584 -1.962826 -1.149521
H 6.994505 -0.380797 0.571865


