%chk=000065914.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065914

0 1
 O    3.627700       1.001700     -0.2204000    
 O  -0.9706000      -1.623400       1.578700    
 O   -5.412100     -0.9957000     -0.1213000    
 O   -3.766900      -2.179400      0.9700000    
 N   -1.248800       3.495900      3.1999999E-03
 N   -4.130100       1.214600      0.3176000    
 C   -1.345900       1.270400      0.1179000    
 C   2.4800001E-02   1.664500      2.2000000E-03
 C   -2.113500       2.434500      0.1153000    
 C   5.2999999E-02   3.057900     -6.7299999E-02
 C   -2.005200      3.5700001E-02  0.2246000    
 C    1.246900      0.9617000     -5.0200000E-02
 C   -3.389400      8.3400004E-02  0.3202000    
 C    1.242600       3.785900     -0.1862000    
 C   -1.290100      -1.275800      0.2378000    
 C   -3.498400       2.406700      0.2144000    
 C    2.444400       1.675900     -0.1695000    
 C    2.439900       3.067200     -0.2364000    
 C   -4.171800      -1.140300      0.4354000    
 C   -6.012100      -2.172200     -0.6736000    
 C    3.565900     -0.4211000     -0.1473000    
 C    4.960000     -0.9746000     -0.1869000    
 C   -5.105400      -2.735400      -1.757400    
 C   -7.391400      -1.825000      -1.212800    
 C  -0.2870000      -2.867400       1.646100    
 C    5.541800      -1.288400      -1.410100    
 C    5.657400      -1.169100       1.000000    
 C    6.837600      -1.803400      -1.447000    
 C    6.953300      -1.683900      0.9633000    
 C    7.543400      -2.001100     -0.2603000    
 H   -1.530100       4.466300     -2.4000000E-02
 H    1.219700     -0.1127000      2.7000001E-02
 H    1.239700       4.869600     -0.2384000    
 H   -1.861000      -2.070500     -0.2547000    
 H  -0.3807000      -1.222600     -0.3638000    
 H   -4.115000       3.295900      0.2147000    
 H    3.378200       3.609200     -0.3288000    
 H   -6.137100      -2.911600      0.1271000    
 H    3.001900     -0.8319000     -0.9954000    
 H    3.097500     -0.7465000      0.7914000    
 H   -5.587000      -3.572600      -2.273200    
 H   -4.156700      -3.103600      -1.356100    
 H   -4.859200      -1.967200      -2.499200    
 H   -7.892700      -2.705700      -1.625500    
 H   -8.017000      -1.406600     -0.4170000    
 H   -7.323800      -1.059900      -1.994000    
 H   0.6574000      -2.816000       1.095500    
 H  -6.7699999E-02  -3.082900       2.695200    
 H  -0.9133000      -3.671500       1.248000    
 H    5.002400      -1.136300      -2.341000    
 H    5.209100     -0.9235000       1.958800    
 H    7.297300      -2.049600      -2.399700    
 H    7.503300      -1.837300       1.887200    
 H    8.552600      -2.401600     -0.2889000    


%chk=000065914-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065914

0 1
O 3.838673 1.011071 0.039111
O -0.161545 -1.843417 0.453553
O -5.399800 -1.124346 -0.797738
O -3.816870 -2.527068 0.175165
N -1.211033 3.358480 0.573156
N -4.107949 1.013269 0.249687
C -1.272426 1.089749 0.158959
C 0.125372 1.513128 0.186942
C -2.062720 2.266089 0.417894
C 0.123086 2.927800 0.431238
C -1.938621 -0.142356 -0.094260
C 1.356541 0.819748 0.060227
C -3.365384 -0.118795 -0.020569
C 1.320843 3.670584 0.512141
C -1.137136 -1.360396 -0.541859
C -3.471701 2.187478 0.460740
C 2.550571 1.566605 0.141880
C 2.533102 2.977384 0.355853
C -4.180299 -1.374242 -0.191972
C -6.344658 -2.295158 -0.939993
C 3.924261 -0.443117 -0.143927
C 5.385068 -0.853389 -0.193347
C -5.991708 -3.060711 -2.223270
C -7.743473 -1.675484 -0.944648
C -0.793670 -2.405551 1.656533
C 5.712459 -2.161372 -0.632329
C 6.422254 0.019972 0.210729
C 7.056343 -2.593238 -0.659829
C 7.768576 -0.411569 0.178292
C 8.091168 -1.717871 -0.254013
H -1.505566 4.315506 0.753191
H 1.346156 -0.268535 -0.030346
H 1.319008 4.749886 0.695554
H -1.804046 -2.187623 -0.835995
H -0.506188 -1.074602 -1.403832
H -4.102697 3.060736 0.663829
H 3.492186 3.501149 0.411246
H -6.189907 -2.944756 -0.058168
H 3.405986 -0.733553 -1.081801
H 3.405010 -0.947903 0.698977
H -6.697922 -3.899237 -2.366124
H -4.971742 -3.475868 -2.163462
H -6.060073 -2.394905 -3.101771
H -8.507841 -2.470983 -1.013272
H -7.916641 -1.097808 -0.021166
H -7.865104 -0.995873 -1.806155
H -1.532098 -3.183861 1.388281
H 0.028243 -2.836856 2.249837
H -1.306745 -1.620289 2.246543
H 4.916237 -2.845268 -0.953979
H 6.166312 1.031186 0.538275
H 7.295851 -3.606631 -1.001140
H 8.564992 0.273721 0.490361
H 9.135063 -2.050208 -0.278030


