%chk=000045124.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045124

0 1
 O    1.768800      0.3661000     -4.4100001E-02
 O   0.6586000       1.930900       1.228000    
 N    5.399000      0.9673000     -0.2910000    
 C  -0.5796000      0.1063000      0.1373000    
 C  -0.5297000      -1.338500      0.5288000    
 C   -1.879000      0.7956000      0.5692000    
 C   -1.059800      -2.350100     -0.2887000    
 C   -2.415400       1.831200     -0.1798000    
 C   0.6599000      0.9222000      0.5338000    
 C    4.123000      0.3005000     -0.5036000    
 C  -0.9809000      -3.697100      0.1384000    
 C   -3.617300       2.425800      0.2724000    
 C   6.8999998E-02  -1.650400       1.749800    
 C   -2.458700      0.3214000       1.727600    
 C    3.003400       1.045200      0.2059000    
 C    5.713200       1.041900       1.137900    
 C    6.471800      0.2742000      -1.008600    
 C   -1.666000      -2.054600      -1.520600    
 C   -1.815300       2.305300      -1.357800    
 C  -0.3744000      -3.992800       1.370200    
 C   -4.217600       1.951600       1.450300    
 C   0.1468000      -2.974900       2.169600    
 C   -3.641000      0.9062000       2.172000    
 C   -1.510700      -4.708800     -0.6788000    
 C   -4.183800       3.477200     -0.4665000    
 C   -2.187300      -3.072400      -2.319700    
 C   -2.392000       3.351000      -2.079200    
 C   -2.109900      -4.397000      -1.899700    
 C   -3.574000       3.935900      -1.634500    
 C    7.009800       1.797000       1.376200    
 C    6.168900      0.1838000      -2.494700    
 H  -0.5103000      0.1307000     -0.9527000    
 H    3.842000      0.2775000      -1.562300    
 H    4.143500     -0.7454000     -0.1683000    
 H   0.4769000     -0.8827000       2.401900    
 H   -2.057100     -0.4665000       2.349000    
 H    3.128000       1.048300       1.291700    
 H    2.930400       2.076200     -0.1609000    
 H    4.962600       1.622000       1.680600    
 H    5.767300      4.8599999E-02   1.600700    
 H    7.410300      0.8326000     -0.9317000    
 H    6.649200     -0.7317000     -0.6077000    
 H   -1.783800      -1.046300      -1.902700    
 H  -0.8851000       1.911600      -1.753200    
 H  -0.3031000      -5.021100       1.718600    
 H   -5.141200       2.394700       1.817100    
 H   0.6112000      -3.217200       3.121000    
 H   -4.113400      0.5532000       3.084200    
 H   -1.461500      -5.751100     -0.3704000    
 H   -5.107300       3.949300     -0.1374000    
 H   -2.658800      -2.830800      -3.268000    
 H   -1.916000       3.712100      -2.986400    
 H   -2.517200      -5.188800      -2.521700    
 H   -4.021700       4.750600      -2.196100    
 H    7.892800       1.204900       1.116800    
 H    7.038300       2.741600      0.8220000    
 H    7.102300       2.041300       2.440700    
 H    5.411700     -0.5726000      -2.723100    
 H    5.848500       1.147500      -2.905100    
 H    7.075300     -0.1135000      -3.034700    


%chk=000045124-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045124

0 1
O 1.792897 0.259548 -0.020486
O 0.895482 0.686267 2.082918
N 5.367873 1.335081 -0.363891
C -0.461206 -0.498206 0.352545
C -0.718320 -1.861534 1.015807
C -1.668690 0.460235 0.403925
C -1.462438 -2.864569 0.280027
C -1.819769 1.491850 -0.600894
C 0.774266 0.206622 0.934203
C 4.054221 0.764581 -0.750537
C -1.676887 -4.166623 0.885315
C -2.962306 2.384885 -0.521931
C -0.257866 -2.159403 2.304488
C -2.605874 0.362710 1.437216
C 3.059413 0.935947 0.403263
C 6.228935 0.359515 0.360330
C 6.068339 2.027806 -1.477487
C -2.010679 -2.632303 -1.027582
C -0.887795 1.684611 -1.678797
C -1.170949 -4.429725 2.200728
C -3.901589 2.239931 0.550956
C -0.481574 -3.440391 2.898412
C -3.722792 1.249197 1.515081
C -2.397340 -5.173043 0.160336
C -3.132245 3.404736 -1.516142
C -2.711947 -3.630802 -1.708063
C -1.081313 2.687475 -2.632675
C -2.904575 -4.916965 -1.114041
C -2.213959 3.556244 -2.556002
C 7.232744 1.034679 1.314243
C 5.442300 3.392367 -1.822196
H -0.209997 -0.693237 -0.704112
H 3.665666 1.297874 -1.635842
H 4.120119 -0.313564 -1.027508
H 0.281932 -1.397082 2.874399
H -2.485524 -0.413901 2.198959
H 3.413903 0.468740 1.339304
H 2.849461 2.000439 0.602869
H 5.567298 -0.298429 0.954593
H 6.773584 -0.308401 -0.354215
H 7.114691 2.191943 -1.162427
H 6.111680 1.387314 -2.394981
H -1.900287 -1.650944 -1.498703
H 0.002336 1.052142 -1.753014
H -1.340120 -5.417074 2.646838
H -4.759144 2.921456 0.601192
H -0.102481 -3.634980 3.907493
H -4.437724 1.141312 2.337824
H -2.545989 -6.152539 0.630855
H -4.002135 4.068593 -1.442375
H -3.123257 -3.426674 -2.702759
H -0.357249 2.813935 -3.445380
H -3.454340 -5.692138 -1.658991
H -2.353463 4.338481 -3.310159
H 7.938827 1.690876 0.773860
H 6.695742 1.651817 2.055171
H 7.828678 0.272472 1.850230
H 4.392384 3.293335 -2.153769
H 5.457328 4.051616 -0.937022
H 6.005324 3.880895 -2.639400


