%chk=000113788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113788

2 1
 O   0.9852000      0.1779000       1.266400    
 O   0.2354000      -1.378700     -0.2671000    
 N   -3.528400     -0.4900000     -0.1589000    
 N    4.338800      7.6800004E-02 -0.3087000    
 C   -1.649100       1.276500     -4.4100001E-02
 C   -1.317100      7.7500001E-02  0.8603000    
 C   -2.398000      -1.001800      0.7505000    
 C   -2.969900     -0.2435000      -1.565500    
 C   -4.087400      0.8245000      0.4066000    
 C   -1.862400      0.8062000      -1.490600    
 C   -2.974600       1.873800      0.4470000    
 C   -4.637800      -1.528600     -0.2259000    
 C   3.8300000E-02 -0.4764000      0.5355000    
 C    2.333100     -0.2537000       1.053600    
 C    2.953900      0.5551000     -6.8099998E-02
 C    5.205300      0.2650000      0.9439000    
 C    4.344100      -1.413800     -0.6738000    
 C    4.990600      0.8531000      -1.461100    
 H  -0.8552000       2.031100     -8.9999996E-03
 H   -1.288100      0.4029000       1.909900    
 H   -2.051800      -1.954400      0.3353000    
 H   -2.846200      -1.200100       1.731700    
 H   -3.798300      9.1600001E-02  -2.199800    
 H   -2.591200      -1.199100      -1.945600    
 H   -4.477800      0.6147000       1.408800    
 H   -4.912800       1.141700     -0.2408000    
 H  -0.9363000      0.4018000      -1.914400    
 H   -2.128800       1.660200      -2.126000    
 H   -3.257100       2.734100     -0.1720000    
 H   -2.866500       2.256700       1.469000    
 H   -4.220400      -2.455600     -0.6295000    
 H   -5.022200      -1.689900      0.7854000    
 H   -5.428400      -1.148700     -0.8795000    
 H    2.339600      -1.335400      0.8974000    
 H    2.836300     -6.8599999E-02   2.006700    
 H    2.983200       1.622400      0.1831000    
 H    2.381400      0.4521000     -0.9979000    
 H    4.895100     -0.4372000       1.721300    
 H    5.105400       1.301100       1.280000    
 H    6.244700      5.5300001E-02  0.6718000    
 H    5.339200      -1.665500      -1.054900    
 H    4.150500      -2.019700      0.2145000    
 H    3.591900      -1.583600      -1.449600    
 H    4.390900      0.6910000      -2.361500    
 H    6.009400      0.4818000      -1.605400    
 H    5.002500       1.913300      -1.191900    


%chk=000113788-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113788

2 1
O 0.996386 0.151644 1.126818
O 0.229179 -1.366703 -0.473323
N -3.721380 -0.465076 -0.087017
N 4.616421 0.052866 -0.217376
C -1.785063 1.270548 -0.281180
C -1.375508 0.116260 0.701568
C -2.463013 -0.995027 0.621353
C -3.385575 -0.206527 -1.573418
C -4.142665 0.870616 0.566563
C -2.116747 0.684445 -1.676956
C -3.054494 1.947708 0.300408
C -4.846284 -1.485006 0.025361
C -0.007853 -0.467674 0.361972
C 2.368949 -0.414510 1.010447
C 3.129887 0.433205 -0.029733
C 5.400662 0.223359 1.088114
C 4.755788 -1.389271 -0.717203
C 5.206806 0.999989 -1.272019
H -0.970577 2.009725 -0.354229
H -1.314887 0.537077 1.719528
H -2.106668 -1.857735 0.033015
H -2.772280 -1.341290 1.620798
H -4.277668 0.271032 -2.011495
H -3.248142 -1.192445 -2.046713
H -4.280914 0.661357 1.640757
H -5.120904 1.143850 0.138753
H -1.270884 0.096696 -2.070724
H -2.303987 1.507157 -2.386922
H -3.424927 2.702274 -0.414064
H -2.820690 2.477310 1.239225
H -4.492227 -2.459154 -0.345777
H -5.152573 -1.575958 1.078952
H -5.700644 -1.146334 -0.580686
H 2.292133 -1.474281 0.713910
H 2.781024 -0.317009 2.025898
H 3.110153 1.495163 0.268973
H 2.652481 0.329979 -1.019148
H 5.060397 -0.515362 1.827879
H 5.249370 1.244308 1.470740
H 6.469125 0.060329 0.880935
H 5.813611 -1.578534 -0.954310
H 4.428974 -2.088724 0.065593
H 4.141581 -1.518644 -1.621278
H 4.661328 0.870934 -2.219143
H 6.269038 0.753126 -1.418702
H 5.112259 2.038207 -0.919043


