%chk=000002466.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002466

0 1
 O    2.345100     -0.5597000     -0.7356000    
 O   -4.153900     -0.9308000     -0.7940000    
 O   -5.710200       1.278800     -0.8220000    
 N   -4.723200       1.096000      0.1556000    
 C    4.654700     -0.1191000     -0.2832000    
 C    5.678000      0.9219000      0.1615000    
 C    3.248000      0.4600000     -0.3309000    
 C   -1.552500     -0.2776000      0.6639000    
 C    1.058200     -0.4660000     -0.2728000    
 C    7.074800      0.3282000      0.2493000    
 C   -2.952400     -0.1762000       1.167200    
 C  -0.9941000      -1.528600      0.4021000    
 C  -0.8010000      0.8790000      0.4558000    
 C   0.3158000      -1.623100     -6.7900002E-02
 C   0.5089000      0.7845000     -1.4300000E-02
 C   -3.996200     -6.7199998E-02  6.5300003E-02
 H    4.920000     -0.5154000      -1.271300    
 H    4.668800     -0.9795000      0.3979000    
 H    5.399300       1.324900       1.142100    
 H    5.685900       1.761100     -0.5439000    
 H    3.008100      0.8391000      0.6713000    
 H    3.205800       1.284500      -1.052000    
 H    7.107800     -0.4921000      0.9735000    
 H    7.398600     -5.7900000E-02 -0.7225000    
 H    7.791800       1.091300      0.5678000    
 H   -3.032500      0.6699000       1.861600    
 H   -3.206400      -1.060700       1.766000    
 H   -1.569400      -2.437300      0.5587000    
 H   -1.228100       1.859700      0.6487000    
 H   0.7470000      -2.599200     -0.2710000    
 H    1.049500       1.709300     -0.1904000    
 H   -4.702400       1.765100      0.9164000    
 H   -5.219700       1.822200      -1.461800    


%chk=000002466-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002466

0 1
O 2.375779 -0.615009 -0.123969
O -4.354661 -1.152121 -0.664225
O -5.516862 1.011347 -1.661892
N -4.707523 1.089203 -0.474036
C 4.739535 -0.117786 -0.235132
C 5.884127 0.875384 0.074126
C 3.382277 0.399283 0.245619
C -1.724396 -0.088307 0.839585
C 1.039370 -0.370975 0.225557
C 7.257658 0.353177 -0.399405
C -3.205801 0.056798 1.188860
C -1.248830 -1.236069 0.147457
C -0.793989 0.908072 1.211169
C 0.115566 -1.377345 -0.157315
C 0.583406 0.780124 0.913455
C -4.112470 -0.063518 -0.031012
H 4.686427 -0.304415 -1.324797
H 4.944576 -1.092309 0.247964
H 5.920555 1.071800 1.165252
H 5.671318 1.848961 -0.412897
H 3.378740 0.543118 1.346840
H 3.130364 1.366009 -0.239531
H 7.510057 -0.602474 0.096829
H 7.258750 0.174885 -1.490956
H 8.063136 1.075296 -0.173265
H -3.379699 1.019700 1.704623
H -3.517660 -0.745144 1.884821
H -1.961906 -2.007803 -0.162272
H -1.138128 1.801076 1.748239
H 0.491018 -2.255740 -0.691137
H 1.274932 1.570770 1.218332
H -4.573878 2.048929 -0.162157
H -5.447687 0.020184 -1.863630


