%chk=000056906.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056906

0 1
 O   -4.172500      -1.983600     -0.5711000    
 O   -3.312800      -4.431400     -0.3499000    
 O   -1.461300      -3.805000      0.6587000    
 N   -2.568200      -3.520600      0.1157000    
 C    2.593000     -0.4374000     -0.1099000    
 C    1.438700     -0.5863000      0.8838000    
 C    3.937000     -0.3267000      0.6122000    
 C   9.0800002E-02 -0.6638000      0.1603000    
 C    5.088300     -0.1447000     -0.3795000    
 C   -1.096700     -0.8382000       1.114600    
 C    6.426500      2.7000001E-03  0.3471000    
 C   -2.418500     -0.9901000      0.4210000    
 C    7.614600      0.2100000     -0.5972000    
 C   -3.337800      2.8700000E-02  3.9500002E-02
 C    8.969700      0.4490000      7.5499997E-02
 C   -4.397300     -0.6398000     -0.5661000    
 C   -3.400300       1.445500      0.1345000    
 C   -2.972100      -2.185900      2.8700000E-02
 C    10.12490      0.5927000     -0.9155000    
 C   -4.536600       2.117000     -0.3901000    
 C   -5.524700     -1.2900000E-02  -1.090100    
 C   -5.572400       1.381100     -0.9895000    
 C   -2.360200       2.181600      0.7363000    
 C    11.44390      0.8361000     -0.1977000    
 C   -4.594200       3.516100     -0.2938000    
 C   -2.444700       3.570700      0.8178000    
 C   -3.557000       4.235200      0.3049000    
 H    2.432800      0.4563000     -0.7253000    
 H    2.609200      -1.298900     -0.7884000    
 H    1.585300      -1.491500       1.485300    
 H    1.431600      0.2653000       1.574700    
 H    4.107500      -1.227700       1.213700    
 H    3.911500      0.5242000       1.304000    
 H  -5.3100001E-02  0.2438000     -0.4392000    
 H   0.1124000      -1.501000     -0.5493000    
 H    5.131700      -1.004800      -1.058400    
 H    4.907400      0.7450000     -0.9948000    
 H   -1.129000     -3.7400000E-02   1.856400    
 H  -0.9122000      -1.722700       1.736100    
 H    6.370500      0.8547000       1.035900    
 H    6.610100     -0.8880000      0.9605000    
 H    7.695300     -0.6674000      -1.251600    
 H    7.398300       1.063700      -1.252300    
 H    8.904600       1.352600      0.6942000    
 H    9.179500     -0.3852000      0.7564000    
 H    10.20660     -0.3148000      -1.524700    
 H    9.926000       1.426300      -1.598700    
 H   -6.327400     -0.5744000      -1.553700    
 H   -6.444100       1.895100      -1.392000    
 H   -1.458200       1.735100       1.123800    
 H    11.40370       1.754900      0.3960000    
 H    12.25710      0.9359000     -0.9235000    
 H    11.68580      4.1999999E-03  0.4713000    
 H   -5.449900       4.062200     -0.6857000    
 H   -1.638900       4.137700       1.275200    
 H   -3.617500       5.317900      0.3692000    


%chk=000056906-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056906

0 1
O -4.416726 -2.014522 -0.523643
O -3.700587 -4.556907 -0.143374
O -1.629924 -3.943849 0.638026
N -2.825943 -3.667224 0.194880
C 2.553100 -0.474693 -0.114767
C 1.373888 -0.678904 0.862937
C 3.913971 -0.314981 0.599985
C 0.015270 -0.824475 0.143845
C 5.093472 -0.093520 -0.373827
C -1.155480 -1.038776 1.149169
C 6.452866 0.075573 0.341306
C -2.495333 -1.116855 0.466455
C 7.630977 0.313965 -0.630399
C -3.368515 -0.023921 0.060655
C 8.989572 0.488777 0.084929
C -4.518563 -0.616452 -0.523504
C -3.298343 1.421254 0.132457
C -3.171340 -2.280848 0.079144
C 10.165774 0.740145 -0.886560
C -4.439179 2.161105 -0.380056
C -5.633155 0.084563 -1.035258
C -5.576215 1.474418 -0.947536
C -2.189613 2.157444 0.653828
C 11.518447 0.915811 -0.162930
C -4.425767 3.591291 -0.327284
C -2.206606 3.557923 0.690658
C -3.332106 4.283295 0.201817
H 2.360957 0.422038 -0.740584
H 2.603457 -1.336356 -0.812025
H 1.558935 -1.582076 1.479737
H 1.331355 0.178464 1.568252
H 4.112104 -1.216240 1.216817
H 3.858946 0.539586 1.306921
H -0.178323 0.072760 -0.477834
H 0.049196 -1.690453 -0.544855
H 5.153273 -0.949616 -1.077960
H 4.892130 0.805166 -0.994084
H -1.162305 -0.216990 1.888846
H -0.967950 -1.977874 1.694943
H 6.388817 0.925450 1.053079
H 6.659962 -0.826839 0.953859
H 7.697719 -0.536406 -1.341133
H 7.422022 1.215397 -1.244206
H 8.921436 1.334620 0.801158
H 9.204687 -0.415190 0.692607
H 10.234167 -0.105141 -1.601608
H 9.948889 1.643130 -1.493358
H -6.483888 -0.447612 -1.466864
H -6.411456 2.077225 -1.321259
H -1.309329 1.626948 1.022838
H 11.484713 1.772452 0.536787
H 12.342094 1.095836 -0.878262
H 11.772619 0.013816 0.425441
H -5.291945 4.140637 -0.714443
H -1.345637 4.101017 1.095006
H -3.333882 5.377709 0.236532


