%chk=000048417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048417

0 1
 O   0.5052000      -1.334300      -2.110200    
 O   0.4764000     -0.3147000       2.473400    
 O    3.362700       1.815900     -0.3876000    
 N    1.862800      0.3097000      -1.263600    
 N    1.848800      0.8186000       1.026200    
 C   -1.103800      0.5356000     -0.1308000    
 C  -9.8000001E-03 -0.4913000      0.1043000    
 C   -2.027800      0.6681000       1.072700    
 C   -2.057200      0.1095000      -1.241800    
 C   -3.267500       1.336200      0.4950000    
 C   -3.354500      0.8630000     -0.9561000    
 C  -0.6495000      -1.854800      0.4036000    
 C   0.8028000     -0.5810000      -1.183400    
 C   0.7872000     -2.4700001E-02   1.318500    
 C   0.4110000      -2.904300      0.6027000    
 C    2.413100       1.048300     -0.2229000    
 H  -0.6859000       1.523100     -0.3739000    
 H   -1.597200       1.283500       1.869200    
 H   -2.350200     -0.2735000       1.519100    
 H   -2.313600     -0.9474000      -1.287000    
 H   -1.669700      0.3802000      -2.230400    
 H   -3.152000       2.426500      0.5190000    
 H   -4.170100       1.089600       1.063000    
 H   -4.223700      0.2142000      -1.109200    
 H   -3.466500       1.721300      -1.628000    
 H   -1.279100      -2.241100     -0.3994000    
 H   -1.250200      -1.861900       1.316600    
 H    1.020400      -3.071800     -0.2900000    
 H    1.085200      -2.672900       1.432700    
 H  -6.1999999E-02  -3.864200      0.8416000    
 H    2.338100      0.3704000      -2.159800    
 H    2.313700       1.254400       1.817800    


%chk=000048417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048417

0 1
O 0.581898 -1.269744 -2.190774
O 0.414370 -0.358252 2.506878
O 3.574803 1.683258 -0.214766
N 1.990403 0.271005 -1.199788
N 1.894905 0.738995 1.112176
C -1.050728 0.702418 -0.199436
C -0.018520 -0.504596 0.079889
C -1.954716 1.048914 1.034112
C -2.039216 0.428710 -1.388127
C -3.362383 1.318901 0.443152
C -3.446793 0.331300 -0.745394
C -0.731215 -1.861774 0.318100
C 0.860631 -0.575844 -1.179637
C 0.766661 -0.081878 1.332202
C 0.232506 -3.037793 0.589610
C 2.552594 0.960970 -0.110621
H -0.425362 1.583582 -0.444280
H -1.557528 1.908046 1.602795
H -1.998701 0.200239 1.739557
H -1.766581 -0.459546 -1.982733
H -2.008858 1.292564 -2.078896
H -3.432505 2.359450 0.070108
H -4.164069 1.176009 1.189282
H -3.628920 -0.694170 -0.369698
H -4.254716 0.575805 -1.457382
H -1.340627 -2.089028 -0.573075
H -1.412932 -1.748115 1.178308
H 0.912288 -3.209612 -0.264050
H 0.833606 -2.864480 1.499788
H -0.342539 -3.967968 0.745292
H 2.510417 0.333757 -2.081145
H 2.348926 1.139077 1.939854


