%chk=000013116.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013116

0 1
 O    1.024800      -1.243400      -2.279100    
 O    2.727100       1.290000     -0.2231000    
 O   -3.216100      -2.103000      0.2949000    
 O   -1.415400       2.878100     -0.4492000    
 O    3.402600       2.629000       1.523400    
 N    1.784900      -1.725700       1.376200    
 N  -0.4478000      -1.601000     -0.4498000    
 N   -3.996100       2.638700      0.3408000    
 N    4.918300       1.796400      8.0000004E-03
 C    1.870200      -1.598400     -7.6600000E-02
 C    1.262500      -2.808600      0.5611000    
 C   0.8013000     -0.9458000     -0.9002000    
 C  -0.2078000      -2.852900      0.2563000    
 C   0.5041000      0.5803000     -0.7350000    
 C   -1.427700     -0.6643000     -0.2243000    
 C  -0.9728000      0.5765000     -0.3932000    
 C    2.943700      -2.085700       2.159400    
 C    1.382300       1.386800      0.2123000    
 C   -2.810900     -0.9534000      0.1613000    
 C   -1.840200       1.745900     -0.2403000    
 C    2.127000     -0.5120000      -2.791500    
 C   -3.704800      0.2342000      0.3703000    
 C   -3.260400       1.496100      0.1822000    
 C   -5.106100     -0.1216000      0.7913000    
 C    3.657500       1.963900      0.5249000    
 H    2.855100      -1.681200     -0.5078000    
 H    1.774200      -3.758300      0.5324000    
 H  -0.4428000      -3.699300     -0.3963000    
 H  -0.7917000      -2.933200       1.179000    
 H   0.5542000       1.085400      -1.706100    
 H    3.663800      -2.707800       1.614700    
 H    2.639300      -2.627600       3.060700    
 H    3.468200      -1.179100       2.478000    
 H    1.291100       1.017500       1.240300    
 H    1.081300       2.440800      0.2042000    
 H    2.973800     -0.4094000      -2.111300    
 H    1.816600      0.4691000      -3.160500    
 H    2.491100      -1.059200      -3.667600    
 H   -5.748400      0.7471000      0.9532000    
 H   -5.086600     -0.6866000       1.729600    
 H   -5.585600     -0.7401000      2.4700001E-02
 H   -4.966200       2.599800      0.6216000    
 H   -3.563600       3.538900      0.1731000    
 H    5.078300       1.234600     -0.8215000    
 H    5.728400       2.227900      0.4399000    


%chk=000013116-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013116

0 1
O 1.109431 -1.248565 -2.293330
O 2.691114 1.776163 -0.458465
O -3.115826 -2.237067 0.374485
O -1.519011 3.024245 -0.287589
O 3.895728 1.080439 1.456322
N 1.439152 -1.617487 1.476622
N -0.413744 -1.544863 -0.509654
N -4.037654 2.529547 0.407503
N 4.944690 2.021153 -0.416520
C 1.881448 -1.531103 0.030937
C 1.238898 -2.806202 0.562874
C 0.856781 -0.853123 -0.890180
C -0.190105 -2.907775 0.025635
C 0.521126 0.682733 -0.775785
C -1.395384 -0.638103 -0.218180
C -0.951732 0.674008 -0.384331
C 2.539319 -1.739725 2.474205
C 1.377729 1.503241 0.200022
C -2.792785 -1.002221 0.220541
C -1.830479 1.776249 -0.176753
C 2.392141 -0.783145 -2.843060
C -3.706670 0.107143 0.438667
C -3.258986 1.417440 0.239950
C -5.126719 -0.190461 0.870966
C 3.853419 1.585615 0.305791
H 2.950359 -1.475301 -0.195194
H 1.829920 -3.713831 0.726520
H -0.253949 -3.658951 -0.782578
H -0.950956 -3.134666 0.787123
H 0.636273 1.127951 -1.782905
H 3.368599 -2.409983 2.149721
H 2.111316 -2.136511 3.410730
H 2.959402 -0.736552 2.651353
H 1.545574 0.979350 1.154150
H 0.904809 2.484278 0.368318
H 3.241650 -1.389042 -2.469820
H 2.577547 0.283723 -2.610542
H 2.305827 -0.918210 -3.932537
H -5.368931 0.269003 1.850531
H -5.254794 -1.280521 0.968468
H -5.870467 0.173302 0.133573
H -5.011981 2.477225 0.691674
H -3.575265 3.430731 0.242495
H 4.817917 2.475118 -1.317884
H 5.865968 1.954152 0.006532


