%chk=000038512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038512

0 1
 O    4.368600       1.100800      0.6389000    
 O  -0.3762000      -2.609400     -0.7506000    
 O  -0.5899000      -2.478200       1.437600    
 N    7.456400     -0.4492000     -0.6450000    
 N  -0.8287000      -2.116200      0.2841000    
 C   -1.143200      0.2368000      9.9799998E-02
 C   0.2869000      0.4614000      0.2403000    
 C   -1.727100      -1.006000      0.1298000    
 C   -2.074500       1.400600     -9.5399998E-02
 C    6.559700      0.1991000      0.3112000    
 C    5.211000      0.4882000     -0.3285000    
 C    1.104400      0.4737000     -0.8899000    
 C   0.8411000      0.6639000       1.504000    
 C    3.020900      0.8898000      0.5068000    
 C   -3.157300      -1.322000      9.4999997E-03
 C    2.476200      0.6887000     -0.7562000    
 C    2.212800      0.8790000       1.637900    
 C   -2.343900       1.807900      -1.376700    
 C   -2.609000       1.997600       1.017300    
 C   -3.701500      -1.553800      -1.245600    
 C   -3.941100      -1.383500       1.152500    
 C    6.865500      -1.693300      -1.137100    
 C    8.757500     -0.7094000     -3.0400001E-02
 C   -3.207900       2.887900      -1.557900    
 C   -3.473100       3.077500      0.8359000    
 C   -3.772500       3.522700     -0.4517000    
 C   -5.059100      -1.853400      -1.360100    
 C   -5.298700      -1.683200       1.037900    
 C   -5.857500      -1.918200     -0.2184000    
 H    6.992900       1.148200      0.6527000    
 H    6.417300     -0.4111000       1.213600    
 H    4.751500     -0.4491000     -0.6571000    
 H    5.328900       1.163900      -1.184100    
 H   0.6876000      0.3227000      -1.882900    
 H   0.2186000      0.6558000       2.395600    
 H    3.071400      0.7202000      -1.663700    
 H    2.640600       1.035700       2.623900    
 H   -1.909500       1.319400      -2.243600    
 H   -2.381900       1.657500       2.023200    
 H   -3.090900      -1.506700      -2.143600    
 H   -3.518700      -1.202600       2.137500    
 H    7.607500      -2.268300      -1.705300    
 H    6.501600      -2.336900     -0.3278000    
 H    6.056500      -1.507900      -1.850400    
 H    9.212700      0.2245000      0.3179000    
 H    8.683400      -1.395700      0.8211000    
 H    9.450800      -1.140000     -0.7615000    
 H   -3.441400       3.234100      -2.560500    
 H   -3.913100       3.571500       1.697300    
 H   -4.445500       4.363300     -0.5929000    
 H   -5.494300      -2.036100      -2.338200    
 H   -5.920600      -1.733400       1.926900    
 H   -6.914400      -2.151300     -0.3074000    


%chk=000038512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038512

0 1
O 4.240984 -0.645275 0.821623
O -0.829609 -2.898178 -1.102250
O -2.023900 -3.503367 0.744713
N 7.675183 0.338406 -0.267374
N -1.642055 -2.631344 -0.133662
C -1.388040 -0.168379 -0.131764
C 0.076723 -0.282248 0.092916
C -2.236463 -1.263148 -0.059333
C -1.930722 1.192838 -0.424915
C 6.610088 -0.291993 0.546653
C 5.226929 0.085070 -0.000774
C 0.993093 0.467992 -0.691208
C 0.605229 -1.116337 1.123427
C 2.886138 -0.474805 0.529093
C -3.708659 -1.270203 0.126080
C 2.383919 0.372752 -0.492497
C 1.986001 -1.212093 1.341960
C -2.887816 1.388294 -1.459890
C -1.456863 2.329557 0.287547
C -4.522223 -2.218395 -0.554112
C -4.331699 -0.343418 1.006020
C 7.982441 -0.411307 -1.503533
C 8.894407 0.647817 0.506964
C -3.364985 2.679150 -1.763308
C -1.946268 3.619975 -0.006948
C -2.902758 3.800535 -1.033414
C -5.920184 -2.224323 -0.375478
C -5.729894 -0.350678 1.183349
C -6.531989 -1.288135 0.491099
H 6.684524 0.077590 1.584906
H 6.697317 -1.404449 0.588918
H 5.113951 -0.211855 -1.062483
H 5.068451 1.177066 0.086662
H 0.611403 1.117979 -1.485716
H -0.076480 -1.681331 1.768906
H 3.058396 0.951319 -1.129897
H 2.393701 -1.845575 2.135153
H -3.241672 0.524040 -2.031459
H -0.711406 2.193910 1.078783
H -4.059728 -2.952444 -1.223999
H -3.714877 0.373823 1.556822
H 8.682195 0.173096 -2.127093
H 8.445314 -1.410765 -1.303882
H 7.064909 -0.574823 -2.094954
H 8.638633 1.288412 1.369178
H 9.422450 -0.260717 0.892441
H 9.603922 1.205015 -0.131129
H -4.094159 2.812499 -2.569960
H -1.580958 4.482797 0.560920
H -3.278766 4.802920 -1.266752
H -6.532200 -2.960386 -0.908102
H -6.192721 0.366774 1.869837
H -7.618407 -1.296155 0.632619


