%chk=000065491.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065491

0 1
 O  -0.9485000      -1.346100     -0.5138000    
 O   -2.285400      -2.945700      -1.509100    
 O    4.763900     -0.9642000     -0.5172000    
 N  -0.8365000      -4.280400       1.199100    
 C   -3.504600      0.1086000     -0.1059000    
 C   -4.450500     -0.8396000     -0.7723000    
 C   -3.037300     -0.6948000      -1.278000    
 C   -3.657000       1.592900     -0.1069000    
 C   -4.848500      -2.106000     -9.0200000E-02
 C   -5.539100     -0.3003000      -1.642800    
 C   -2.991700     -0.1440000       1.254400    
 C   -2.076700      -1.801400      -1.129400    
 C   -3.257200       2.095200       1.152500    
 C   -2.841400      0.9714000       1.992800    
 C   -4.098200       2.474200      -1.084900    
 C   -3.289800       3.447000       1.450500    
 C   -4.135500       3.841900     -0.7960000    
 C   -3.734900       4.323600      0.4605000    
 C   7.5000003E-02  -2.324100     -0.3042000    
 C    1.283200      -1.655500      0.3093000    
 C  -0.4334000      -3.416500      0.5374000    
 C    2.472700      -1.623000     -0.3997000    
 C    1.177300      -1.087700       1.568300    
 C    3.587900      -1.005200      0.1665000    
 C    2.292200     -0.4699000       2.134300    
 C    3.497500     -0.4285000       1.433400    
 C    5.452300      0.2371000     -0.5424000    
 C    4.756700       1.407300     -0.7870000    
 C    6.818000      0.2353000     -0.3230000    
 C    5.450400       2.617100     -0.8131000    
 C    7.511500       1.445300     -0.3490000    
 C    6.827700       2.636100     -0.5941000    
 H   -2.907500     -0.1617000      -2.216700    
 H   -5.136500      -2.865800     -0.8259000    
 H   -4.067200      -2.551800      0.5321000    
 H   -5.713400      -1.927700      0.5589000    
 H   -5.164800      0.2174000      -2.530200    
 H   -6.169900      -1.111400      -2.026200    
 H   -6.195300      0.3724000      -1.080800    
 H   -2.745700      -1.125100       1.639300    
 H   -2.482700       1.048400       3.004900    
 H   -4.383200       2.143600      -2.075300    
 H   -2.980500       3.821500       2.420300    
 H   -4.471400       4.543000      -1.555600    
 H   -3.770800       5.390900      0.6616000    
 H   0.3516000      -2.731200      -1.286100    
 H    2.550500      -2.069000      -1.387400    
 H   0.2443000      -1.106700       2.124400    
 H    2.222700     -2.4200000E-02   3.122300    
 H    4.355500      3.9200000E-02   1.909100    
 H    3.688800       1.416500     -0.9842000    
 H    7.351400     -0.6909000     -0.1319000    
 H    4.919100       3.543900      -1.009300    
 H    8.584100       1.460200     -0.1787000    
 H    7.368000       3.578000     -0.6157000    


%chk=000065491-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065491

0 1
O -0.617553 0.454866 2.086395
O -1.059873 -1.402999 0.732326
O 3.962078 -1.494448 -0.409330
N 0.152328 0.198348 5.389998
C -3.659748 0.203208 -0.109343
C -2.574831 0.761409 -1.091201
C -2.273631 0.724977 0.427491
C -4.938331 0.905675 0.277172
C -1.881231 -0.224593 -2.032197
C -2.766696 2.136860 -1.727601
C -4.023948 -1.253653 -0.150419
C -1.299563 -0.209014 1.038495
C -5.968599 -0.089191 0.361422
C -5.366578 -1.404621 0.088543
C -5.230987 2.245107 0.593695
C -7.289705 0.263951 0.707310
C -6.559339 2.597834 0.947405
C -7.581378 1.619386 0.993042
C 0.423186 -0.381231 2.804210
C 1.809171 -0.089524 2.245961
C 0.271185 -0.051231 4.230620
C 2.275999 -0.877544 1.168738
C 2.608397 0.961551 2.759031
C 3.540480 -0.605615 0.605866
C 3.874524 1.214362 2.188905
C 4.353566 0.436327 1.112331
C 4.860264 -1.075856 -1.427972
C 4.777629 0.196216 -2.040758
C 5.781943 -2.045590 -1.877549
C 5.648543 0.496615 -3.111763
C 6.642258 -1.732204 -2.952827
C 6.583578 -0.460748 -3.570776
H -2.322262 1.687469 0.945172
H -0.964811 0.238188 -2.443676
H -1.588059 -1.161583 -1.535593
H -2.549062 -0.467780 -2.878595
H -3.225286 2.872459 -1.050132
H -1.788322 2.536550 -2.053137
H -3.414938 2.053194 -2.619230
H -3.306595 -2.047265 -0.357623
H -5.914159 -2.349919 0.092953
H -4.456626 3.020025 0.598942
H -8.074151 -0.498700 0.768303
H -6.794021 3.638732 1.196043
H -8.600576 1.913413 1.267688
H 0.155524 -1.442243 2.631831
H 1.670645 -1.691140 0.756954
H 2.249566 1.565075 3.599395
H 4.503360 2.015611 2.591050
H 5.343890 0.624369 0.686947
H 4.041478 0.930616 -1.698928
H 5.808034 -3.022568 -1.385913
H 5.587453 1.479005 -3.592975
H 7.359189 -2.481771 -3.305044
H 7.253792 -0.220767 -4.402752


