%chk=000147202.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147202

0 1
 O    2.495500     -3.0999999E-02  0.1141000    
 O  -0.6284000      -4.521200      0.1257000    
 O    1.625900      -4.654100     -0.7134000    
 O   -1.038000      0.6602000      -1.663300    
 O   -5.577900       1.532300     -0.5039000    
 N    2.930900       2.265600      0.4034000    
 C    2.147500       1.134200      0.8772000    
 C   0.6705000       1.500400      0.6733000    
 C  -0.2661000      0.3518000       1.083800    
 C    2.693400       2.556400      -1.010100    
 C    4.370800       2.029800      0.5059000    
 C    3.855300       3.470500      -1.369400    
 C    4.959000       3.122000     -0.3754000    
 C    2.518100      0.9065000       2.351600    
 C   0.2764000     -0.9760000      0.5884000    
 C    1.611200      -1.078900      0.1345000    
 C   -1.689400      0.6685000      0.6434000    
 C  -0.5221000      -2.134800      0.6294000    
 C    2.122600      -2.294900     -0.3380000    
 C   1.2000000E-02  -3.321100      0.1683000    
 C   -1.998000      0.8049000     -0.7073000    
 C    1.296900      -3.397500     -0.3086000    
 C   -2.679000      0.8200000       1.610800    
 C   -3.306600       1.095300      -1.093600    
 C   -3.987300       1.110400       1.224600    
 C   -4.301300       1.248100     -0.1276000    
 C   0.3990000      -5.360800     -0.4391000    
 C   -1.446400      0.8174000      -3.020600    
 C   -6.544600       1.676200      0.5356000    
 H   0.4886000       1.739300     -0.3738000    
 H   0.4097000       2.403400       1.243300    
 H  -0.2547000      0.2883000       2.180600    
 H    1.759700       3.095600      -1.197300    
 H    2.725300       1.665500      -1.649400    
 H    4.679200       1.052200      0.1153000    
 H    4.752200       2.136200       1.526300    
 H    3.574600       4.524300      -1.255700    
 H    4.180400       3.319700      -2.403900    
 H    5.868000       2.782900     -0.8826000    
 H    5.215800       4.007400      0.2181000    
 H    3.540400      0.5308000       2.472100    
 H    2.399000       1.818500       2.947500    
 H    1.891400      0.1347000       2.810800    
 H   -1.538800      -2.108900       1.007900    
 H    3.142300      -2.371500     -0.7013000    
 H   -2.450200      0.7156000       2.667900    
 H   -3.618000       1.215500      -2.125800    
 H   -4.710200       1.216100       2.026300    
 H   0.6124000      -6.175000      0.2631000    
 H   2.5300000E-02  -5.791900      -1.375000    
 H   -1.805700       1.832800      -3.219500    
 H   -2.171300      5.1100001E-02  -3.315700    
 H  -0.5573000      0.6687000      -3.642200    
 H   -6.308800       2.522200       1.190100    
 H   -6.676800      0.7433000       1.094100    
 H   -7.503300       1.900300      5.6499999E-02


%chk=000147202-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147202

0 1
O 2.560417 -0.054479 0.054195
O -0.765020 -4.545189 -0.220409
O 1.498505 -4.731659 -0.984385
O -1.125707 0.643329 -1.668377
O -5.721285 1.495804 -0.389946
N 3.038993 2.285873 0.379352
C 2.201733 1.242713 0.882199
C 0.707953 1.533282 0.624143
C -0.227178 0.366909 1.042166
C 2.851970 2.738949 -1.037725
C 4.484761 2.332039 0.738088
C 4.268897 3.150818 -1.518394
C 5.040834 3.420012 -0.202312
C 2.517017 0.890707 2.346225
C 0.289041 -0.973040 0.499644
C 1.634754 -1.106390 0.048891
C -1.680142 0.664970 0.669213
C -0.574416 -2.106411 0.463153
C 2.135676 -2.342750 -0.459755
C -0.072641 -3.308725 -0.026632
C -2.117719 0.797576 -0.687980
C 1.257028 -3.421064 -0.483916
C -2.656079 0.825509 1.672993
C -3.464495 1.069939 -0.999335
C -4.015737 1.105422 1.393220
C -4.411911 1.224248 0.042740
C 0.308238 -5.511219 -0.550412
C -1.539013 0.640249 -3.073479
C -6.746633 1.662313 0.642067
H 0.561032 1.728250 -0.449796
H 0.427701 2.446952 1.179391
H -0.213531 0.307392 2.151378
H 2.149385 3.594140 -1.077538
H 2.442572 1.922777 -1.663081
H 4.991621 1.359501 0.549971
H 4.621248 2.595139 1.802096
H 4.246671 4.024409 -2.192231
H 4.742384 2.312260 -2.061197
H 6.136096 3.353385 -0.320130
H 4.791786 4.422200 0.192716
H 3.571073 0.589427 2.455988
H 2.320009 1.758079 3.001789
H 1.898817 0.042816 2.682117
H -1.614260 -2.017114 0.790643
H 3.169063 -2.412951 -0.805152
H -2.344317 0.723064 2.719920
H -3.816805 1.172060 -2.028640
H -4.728383 1.217804 2.214303
H 0.573348 -6.088295 0.358345
H -0.024277 -6.148403 -1.383414
H -1.960058 1.620124 -3.372552
H -2.279503 -0.158465 -3.269671
H -0.618000 0.441000 -3.640629
H -6.513467 2.516873 1.306967
H -6.860793 0.742364 1.248021
H -7.678153 1.862780 0.092553


