%chk=000138660.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138660

0 1
 O    2.092400       1.207000      6.5000001E-03
 O   -1.253000       3.490100      0.3628000    
 O   0.9367000       3.353900      0.2837000    
 O   -3.021700      -2.424800     -0.2556000    
 O   -3.963900     -0.4580000     -4.6999999E-03
 N  -0.1979000       2.821300      0.2561000    
 N   -2.943900      -1.180300     -0.1169000    
 C    1.962000      -1.609700     -0.3087000    
 C   0.7242000     -0.7395000     -0.1742000    
 C    2.092500      -2.661500      0.8118000    
 C    1.989600      -2.299200      -1.678200    
 C   0.8566000      0.6279000     -2.3300000E-02
 C  -0.5141000      -1.353100     -0.2076000    
 C    2.104300      -2.050100       2.207700    
 C  -0.2913000       1.410800      9.8999999E-02
 C   -1.662000     -0.5702000     -8.5299999E-02
 C   -1.550600      0.8117000      6.8000004E-02
 C    2.640200       1.623600      -1.241300    
 H    2.868900     -0.9978000     -0.2511000    
 H    3.027000      -3.219100      0.6699000    
 H    1.282700      -3.399000      0.7563000    
 H    1.906700      -1.566400      -2.488700    
 H    2.932400      -2.840300      -1.815200    
 H    1.176200      -3.023000      -1.796900    
 H  -0.5853000      -2.430400     -0.3262000    
 H    2.296800      -2.827700       2.954000    
 H    2.890800      -1.294200       2.298300    
 H    1.145700      -1.585400       2.456600    
 H   -2.447500       1.419400      0.1631000    
 H    3.412900       2.372100      -1.044100    
 H    1.882600       2.066100      -1.897000    
 H    3.106200      0.7752000      -1.750500    


%chk=000138660-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138660

0 1
O 2.082979 1.249191 0.047558
O -1.194769 3.421478 1.005698
O 0.557950 3.552058 -0.447480
O -3.069873 -2.509106 -0.275131
O -4.075710 -0.482069 0.020010
N -0.320560 2.888314 0.222236
N -3.033201 -1.228009 -0.119927
C 1.988153 -1.641552 -0.340192
C 0.736060 -0.770810 -0.238374
C 2.069847 -2.667263 0.830760
C 2.054299 -2.361677 -1.713986
C 0.832446 0.648553 -0.095972
C -0.545694 -1.362058 -0.257148
C 2.161709 -2.013630 2.225674
C -0.363468 1.414297 0.059131
C -1.701571 -0.571595 -0.102760
C -1.635618 0.819505 0.079608
C 2.799117 1.650335 -1.191951
H 2.866638 -0.976916 -0.246005
H 2.963346 -3.299275 0.658368
H 1.196245 -3.349098 0.788827
H 2.021238 -1.644832 -2.554905
H 2.991052 -2.942326 -1.794415
H 1.211648 -3.066447 -1.841465
H -0.665703 -2.442895 -0.375931
H 2.261202 -2.780774 3.014383
H 3.036827 -1.341229 2.292323
H 1.262010 -1.413593 2.453913
H -2.539342 1.415820 0.227228
H 3.778348 2.010837 -0.845944
H 2.244656 2.461778 -1.689812
H 2.925939 0.782390 -1.866016


