%chk=000045456.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045456

0 1
 O    4.682700      0.8397000      0.5453000    
 N    6.990500      -2.017900      0.2626000    
 C   -4.114800     -0.1062000     -2.7000001E-02
 C   -5.589400      0.2153000     -0.2797000    
 C   -3.166700       1.021100     -0.4479000    
 C   -6.493700     -0.9321000      0.1792000    
 C   -1.697100      0.7287000     -0.1262000    
 C   -7.970400     -0.5942000     -3.8400002E-02
 C  -0.7551000       1.858200     -0.5609000    
 C   -8.917900      -1.721800      0.3764000    
 C   0.6983000       1.585600     -0.2650000    
 C   -10.38880      -1.364000      0.2289000    
 C    1.477000      0.9427000      -1.215300    
 C    1.231500       1.982900      0.9515000    
 C    3.371100       1.085600      0.2776000    
 C    2.821600      0.6912000     -0.9423000    
 C    2.576100       1.731400       1.224400    
 C    5.264400     -0.3129000     -6.2100001E-02
 C    6.377800     -0.8287000      0.8356000    
 C    6.003800      -3.091000      0.1182000    
 C    7.599100      -1.713500      -1.034800    
 H   -3.970300     -0.3129000       1.040800    
 H   -3.844100      -1.022400     -0.5662000    
 H   -5.745500      0.4055000      -1.348300    
 H   -5.859300       1.133600      0.2558000    
 H   -3.274300       1.196800      -1.525300    
 H   -3.464400       1.948700      5.6299999E-02
 H   -6.319900      -1.138800       1.242100    
 H   -6.240400      -1.844400     -0.3742000    
 H   -1.399800     -0.2054000     -0.6195000    
 H   -1.590300      0.5581000      0.9525000    
 H   -8.138300     -0.3585000      -1.096600    
 H   -8.219100      0.3105000      0.5304000    
 H  -0.8752000       2.043200      -1.636600    
 H   -1.053900       2.794500     -7.1199998E-02
 H   -8.706000      -2.613500     -0.2254000    
 H   -8.725500      -1.991100       1.421800    
 H   -10.64470     -0.5003000      0.8508000    
 H   -10.62850      -1.121500     -0.8112000    
 H   -11.01780      -2.204800      0.5372000    
 H    1.058600      0.6359000      -2.169700    
 H   0.6199000       2.484500       1.695900    
 H    3.410400      0.2118000      -1.718500    
 H    2.998600       2.040100       2.176800    
 H    5.637700     -2.2000000E-03  -1.042600    
 H    4.496300      -1.083300     -0.1825000    
 H    5.984500      -1.042600       1.837900    
 H    7.128400     -4.3600000E-02  0.9941000    
 H    6.527300      -4.032000     -8.9299999E-02
 H    5.291300      -2.940700     -0.6997000    
 H    5.449200      -3.249800       1.050100    
 H    8.269300     -0.8493000     -0.9638000    
 H    6.876200      -1.536000      -1.837900    
 H    8.222400      -2.559600      -1.347800    


%chk=000045456-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045456

0 1
O 4.467050 0.096566 0.909351
N 7.761786 -1.569185 0.149706
C -4.437487 -0.110633 0.029054
C -5.894732 0.291059 -0.292968
C -3.391216 0.876806 -0.535343
C -6.941120 -0.696049 0.271971
C -1.937750 0.490150 -0.183446
C -8.399347 -0.284312 -0.031972
C -0.890277 1.487365 -0.752897
C -9.445676 -1.271652 0.533916
C 0.537415 1.134546 -0.362403
C -10.899648 -0.847762 0.232779
C 1.391701 0.424193 -1.238510
C 1.044727 1.475945 0.921635
C 3.183399 0.405324 0.422286
C 2.705622 0.055657 -0.863722
C 2.347515 1.120710 1.315699
C 5.378922 -0.646599 0.026579
C 6.679556 -0.849803 0.843239
C 7.506433 -2.991268 -0.127616
C 8.398078 -0.847148 -0.963302
H -4.313688 -0.184334 1.129895
H -4.238737 -1.125836 -0.373582
H -6.019910 0.367677 -1.393544
H -6.092243 1.305486 0.112834
H -3.500056 0.936572 -1.638857
H -3.602460 1.895844 -0.147704
H -6.807019 -0.781606 1.370897
H -6.751836 -1.708347 -0.142971
H -1.715781 -0.526297 -0.566790
H -1.824105 0.437427 0.918504
H -8.536120 -0.197741 -1.130508
H -8.589484 0.727231 0.384561
H -0.987146 1.512244 -1.856327
H -1.142937 2.504009 -0.389368
H -9.257968 -2.281012 0.113776
H -9.305207 -1.361284 1.630656
H -11.120264 0.144891 0.669076
H -11.074903 -0.779940 -0.857701
H -11.627813 -1.568925 0.647817
H 1.028630 0.152455 -2.237753
H 0.408731 2.034053 1.620287
H 3.335940 -0.489616 -1.572678
H 2.740447 1.386960 2.302003
H 5.569989 -0.061120 -0.896567
H 4.923150 -1.619003 -0.252815
H 6.422355 -1.398682 1.768752
H 7.052373 0.145582 1.149638
H 8.457604 -3.492586 -0.387196
H 6.790977 -3.179918 -0.967759
H 7.102599 -3.478649 0.778182
H 8.623262 0.188805 -0.651698
H 7.784940 -0.798873 -1.898784
H 9.354527 -1.338778 -1.222011


