%chk=000043610.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043610

0 1
 O   -2.694500      -1.794400      0.8611000    
 O   -3.606300       1.970400      -1.712200    
 O    1.948400     -0.3435000      0.7433000    
 N   -2.730700      0.2548000     -0.3273000    
 N    5.478200     -0.4660000     -0.3281000    
 C   -4.431600      -1.281500     -0.7450000    
 C   -4.969400      0.1243000     -0.9921000    
 C   -5.415600      -2.261900     -0.1131000    
 C   -5.834500      0.6958000      0.1426000    
 C   -3.175200      -1.009400      5.6800000E-02
 C   -3.690300      0.9257000      -1.081500    
 C   -6.407400      -1.640900      0.8176000    
 C   -6.592600     -0.3216000      0.9322000    
 C    6.107000      0.1573000      0.8449000    
 C    6.310500      -1.553200     -0.8621000    
 C    7.483800      0.7248000      0.4964000    
 C    7.694000      -1.041500      -1.266500    
 C    8.389500     -0.3452000     -0.1024000    
 C   -1.454600      0.7992000      2.1500001E-02
 C    4.144000     -0.9615000      9.6000005E-03
 C    3.239900      0.1821000      0.4409000    
 C  -0.3603000     -4.7200002E-02  0.2141000    
 C   -1.298300       2.179000      0.1727000    
 C   0.8838000      0.4834000      0.5559000    
 C  -5.4499999E-02   2.709500      0.5146000    
 C    1.036500       1.861800      0.7060000    
 H   -4.075900      -1.714200      -1.691900    
 H   -5.505900      0.1618000      -1.946900    
 H   -4.877800      -3.053800      0.4207000    
 H   -5.984700      -2.755300     -0.9112000    
 H   -6.550300       1.403100     -0.2951000    
 H   -5.230800       1.284200      0.8459000    
 H   -7.011700      -2.311600       1.422100    
 H   -7.331100      4.6000000E-02   1.639200    
 H    6.199900     -0.5605000       1.670400    
 H    5.534200       1.012800       1.211900    
 H    5.834000      -1.984100      -1.751000    
 H    6.417800      -2.360700     -0.1257000    
 H    7.951400       1.142100       1.395500    
 H    7.372000       1.550100     -0.2184000    
 H    7.595800     -0.3409000      -2.105400    
 H    8.309500      -1.877100      -1.618300    
 H    9.330200      0.1035000     -0.4398000    
 H    8.642200      -1.084100      0.6680000    
 H    4.179900      -1.727100      0.7962000    
 H    3.688100      -1.446600     -0.8635000    
 H    3.196800      0.9153000     -0.3755000    
 H    3.589000      0.6661000       1.356400    
 H  -0.4423000      -1.121700      7.6499999E-02
 H   -2.131900       2.866000      6.2199999E-02
 H   6.1299998E-02   3.781600      0.6446000    
 H    1.978900       2.314400      0.9997000    


%chk=000043610-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043610

0 1
O -2.463114 -1.728422 0.812047
O -3.948356 2.033620 -1.609803
O 1.961271 -0.243610 -0.412371
N -2.845402 0.297904 -0.392708
N 5.684743 -0.451917 -0.286795
C -4.599487 -1.331905 -0.422588
C -5.201761 0.062628 -0.738804
C -5.417842 -2.293274 0.475505
C -5.991244 0.683691 0.456298
C -3.195624 -0.999129 0.107209
C -3.972887 0.933373 -1.013306
C -6.621183 -1.660590 1.142813
C -6.890953 -0.331094 1.131460
C 6.091839 -0.471193 1.142449
C 6.663181 -1.174968 -1.138951
C 7.472839 0.187603 1.334124
C 8.064700 -0.540808 -1.021391
C 8.533506 -0.509858 0.451764
C -1.535063 0.891719 -0.279525
C 4.284058 -0.890468 -0.489802
C 3.328839 0.295944 -0.300320
C -0.392192 0.074600 -0.394675
C -1.410184 2.287294 -0.055535
C 0.893441 0.654774 -0.283836
C -0.121810 2.845513 0.045077
C 1.039221 2.047247 -0.064493
H -4.414117 -1.838434 -1.392833
H -5.855919 0.042686 -1.625160
H -4.736425 -2.713837 1.243783
H -5.758037 -3.163328 -0.118685
H -6.572769 1.546995 0.086037
H -5.279312 1.093818 1.204302
H -7.298331 -2.347394 1.668212
H -7.777852 0.051913 1.652717
H 6.130878 -1.524495 1.529415
H 5.330846 0.064838 1.739121
H 6.313720 -1.128001 -2.187084
H 6.728364 -2.259277 -0.855669
H 7.759319 0.137576 2.402333
H 7.400383 1.256226 1.053901
H 8.018727 0.492443 -1.416634
H 8.779119 -1.109699 -1.647209
H 9.509247 0.004584 0.537025
H 8.683062 -1.549315 0.811317
H 3.984228 -1.715178 0.199159
H 4.166968 -1.272937 -1.519822
H 3.508919 1.058599 -1.082845
H 3.464221 0.765564 0.695076
H -0.470786 -1.003232 -0.549417
H -2.297260 2.918984 0.014709
H -0.016078 3.922728 0.212501
H 2.026747 2.509098 0.018411


