%chk=000006680.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006680

0 1
 O   -1.966500      -3.779500     -4.9100000E-02
 O  -0.3648000       2.008700      0.3400000    
 O   -3.835900      -2.007900     -0.2682000    
 N    1.667300      0.3889000      0.5853000    
 C  -0.6713000     -0.3390000      0.2305000    
 C   -1.581000      -1.386500      7.1599998E-02
 C   0.6881000     -0.6171000      0.4175000    
 C   -2.569000       1.343300      4.9999999E-03
 C   -3.478800      0.2958000     -0.1536000    
 C   -1.132100       1.064200      0.2026000    
 C   -3.018100      -1.107400     -0.1260000    
 C   -1.131300      -2.712000      9.9100001E-02
 C    1.131900      -1.939500      0.4445000    
 C   0.2242000      -2.984700      0.2856000    
 C   -3.018600       2.668800     -2.3300000E-02
 C   -4.838300      0.5738000     -0.3405000    
 C    3.033300      0.4495000      0.2581000    
 C   -4.374100       2.941500     -0.2098000    
 C   -5.282000       1.896300     -0.3682000    
 C    3.905900       1.222600       1.028000    
 C    3.524700     -0.2634000     -0.8384000    
 C    5.748200      0.5697000     -0.3919000    
 C    5.261100       1.282700      0.7035000    
 C    4.880000     -0.2034000      -1.162800    
 C    7.197000      0.6347000     -0.7395000    
 H    2.173600      -2.194900      0.6186000    
 H    1.327800       1.211100       1.075600    
 H   0.5793000      -4.011500      0.3151000    
 H   -2.333000       3.503200      9.7300000E-02
 H   -5.567300     -0.2220000     -0.4663000    
 H   -4.722200       3.970100     -0.2318000    
 H   -6.336700       2.111400     -0.5133000    
 H    3.539300       1.782000       1.885100    
 H    2.869200     -0.8534000      -1.473400    
 H    5.927900       1.887000       1.312900    
 H    5.247100     -0.7601000      -2.021000    
 H   -2.881400      -3.485400     -0.1716000    
 H    7.349900      0.5222000      -1.818200    
 H    7.629100       1.599900     -0.4540000    
 H    7.743300     -0.1606000     -0.2227000    


%chk=000006680-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000006680

0 1
O -2.067487 -3.763527 -0.067506
O -0.342771 2.113350 0.236957
O -3.919630 -2.108197 -0.118368
N 1.636882 0.456713 0.174103
C -0.685690 -0.278055 0.081631
C -1.638671 -1.357831 0.013497
C 0.724814 -0.581142 0.112522
C -2.622889 1.358305 0.045125
C -3.558908 0.282367 -0.039243
C -1.160292 1.105014 0.125111
C -3.077033 -1.109044 -0.048608
C -1.192629 -2.716170 0.001542
C 1.133876 -1.964941 0.140901
C 0.206783 -2.998348 0.088417
C -3.099300 2.693926 0.057949
C -4.949747 0.555212 -0.108972
C 3.049248 0.418821 0.029065
C -4.480476 2.956496 -0.014796
C -5.409309 1.884796 -0.097990
C 3.815273 1.367778 0.758965
C 3.720815 -0.453218 -0.870582
C 5.900509 0.539266 -0.264532
C 5.214170 1.424749 0.607511
C 5.123135 -0.390557 -1.002643
C 7.412312 0.581183 -0.395106
H 2.195259 -2.201672 0.248276
H 1.157462 1.388402 0.283565
H 0.519588 -4.045674 0.128691
H -2.363721 3.501022 0.125451
H -5.640230 -0.291433 -0.170431
H -4.840953 3.990765 -0.006767
H -6.482757 2.094504 -0.153113
H 3.304888 2.052085 1.446072
H 3.148073 -1.138528 -1.503249
H 5.784452 2.166258 1.179783
H 5.620536 -1.064697 -1.710562
H -3.033214 -3.333436 -0.106225
H 7.742193 0.259887 -1.398765
H 7.806034 1.597036 -0.215184
H 7.895206 -0.092362 0.339804


