%chk=000085337.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085337

0 1
 O    2.068300      0.4451000      -1.031400    
 O    1.264000      -2.320800       1.095900    
 O    3.567100      -2.059800     -0.3604000    
 O    3.613800       2.683700     -0.3093000    
 O   -4.598700       1.391300      0.4830000    
 N  -0.1431000      0.1835000     -0.2155000    
 N  -0.2417000       1.479000      0.1281000    
 N   -1.867300      -1.505300     -0.5377000    
 N   -4.140700     -0.7838000     -0.1595000    
 C    1.110800     -0.4780000     -0.4819000    
 C    1.724400      -1.017500      0.8007000    
 C    3.205500     -0.9705000      0.4878000    
 C    3.319100      0.3131000     -0.3220000    
 C    3.509300       1.554200      0.5396000    
 C   -1.418900     -0.3267000     -0.2574000    
 C   -2.370000      0.7618000      0.1085000    
 C   -1.559700       1.806500      0.3363000    
 C   -3.804800      0.5133000      0.1697000    
 C   -3.237400      -1.669200     -0.4746000    
 H   0.9591000      -1.274600      -1.220200    
 H    1.496300     -0.3670000       1.653900    
 H    3.849100      -1.003200       1.371400    
 H    4.107700      0.2541000      -1.080600    
 H    4.419700       1.485300       1.143200    
 H    2.661200       1.725800       1.207700    
 H   0.5220000       2.040500      0.4764000    
 H    1.764000      -2.638600       1.867000    
 H    3.382400      -2.879700      0.1287000    
 H   -1.814400       2.803100      0.6588000    
 H    4.396800       2.559200     -0.8723000    
 H   -3.596800      -2.681400     -0.7235000    


%chk=000085337-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085337

0 1
O 2.382399 0.260384 -1.184920
O 1.276022 -2.657850 0.562206
O 3.851649 -2.129141 -0.070236
O 2.563679 2.645398 0.053425
O -4.319308 1.511088 0.575419
N 0.062303 0.277080 -0.561794
N 0.009904 1.671094 -0.546217
N -1.429824 -1.542134 0.018318
N -3.723482 -0.783843 0.580016
C 1.264276 -0.554957 -0.772127
C 1.632794 -1.259481 0.574951
C 3.171886 -1.074865 0.659361
C 3.382675 0.270048 -0.075503
C 3.137376 1.518555 0.822174
C -1.165146 -0.225179 -0.187223
C -2.047196 0.893242 0.003067
C -1.268419 2.048475 -0.205922
C -3.445790 0.611899 0.398588
C -2.771650 -1.707869 0.400198
H 1.033772 -1.293001 -1.560170
H 1.136989 -0.729049 1.412853
H 3.520458 -1.037097 1.712000
H 4.366565 0.302459 -0.570948
H 4.077903 1.830061 1.314397
H 2.386435 1.324618 1.606150
H 0.923903 2.190043 -0.532061
H 0.274969 -2.684390 0.408070
H 3.265696 -2.935067 -0.026968
H -1.539801 3.098095 -0.124424
H 3.197306 2.935509 -0.649421
H -3.061242 -2.750726 0.577141


