%chk=000061996.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061996

0 1
 O   -3.698700      -2.850000      0.3740000    
 N    1.343800     -0.1382000     -0.4035000    
 N   -2.825900     -0.6580000      0.1407000    
 C   -1.437300      -1.010300     -5.4600000E-02
 C  -0.9000000     -0.5259000      -1.417400    
 C  -0.5956000     -0.4292000       1.086400    
 C   0.6201000     -0.7630000      -1.518700    
 C   0.8954000     -0.6851000      0.8819000    
 C   -1.599300      -1.219900      -2.591800    
 C    2.786400     -0.3233000     -0.5617000    
 C    3.557300      0.4251000      0.5262000    
 C   -3.193300      0.7567000      0.1319000    
 C   -3.855000      -1.626700      0.3418000    
 C   -5.261800      -1.051700      0.4808000    
 C    5.047300      0.2608000      0.3614000    
 C   -3.170200       1.422000       1.321200    
 C   -3.534400       1.312900      -1.064700    
 C   -6.317100      -2.123500      0.7079000    
 C   -3.521200       2.771900       1.313000    
 C   -3.885600       2.662800      -1.072700    
 C    5.688800     -0.7979000      0.9864000    
 C    5.751400       1.171000     -0.4123000    
 C   -3.878900       3.392300      0.1160000    
 C    7.066900     -0.9499000      0.8340000    
 C    7.129600       1.018900     -0.5647000    
 C    7.787400     -4.1600000E-02  5.8400001E-02
 H   -1.349200      -2.104000     -1.5900001E-02
 H   -1.050800      0.5549000      -1.524000    
 H  -0.7163000      0.6566000       1.166400    
 H  -0.9151000     -0.8567000       2.044900    
 H   0.9721000     -0.3344000      -2.466100    
 H   0.8294000      -1.841100      -1.556700    
 H    1.383900     -0.2017000       1.731500    
 H    1.102100      -1.761100      0.9500000    
 H   -2.686700      -1.131000      -2.551700    
 H   -1.264400     -0.7936000      -3.543500    
 H   -1.364600      -2.290300      -2.606200    
 H    3.097800      6.6699997E-02  -1.539800    
 H    3.050000      -1.389800     -0.5497000    
 H    3.301200       1.492900      0.5102000    
 H    3.319300      7.4199997E-02   1.535200    
 H   -5.524300     -0.5089000     -0.4325000    
 H   -5.294900     -0.3661000       1.332800    
 H   -2.908700      0.9400000       2.257300    
 H   -3.571000      0.7577000      -1.992600    
 H   -7.307200      -1.667800      0.8072000    
 H   -6.109900      -2.692500       1.620300    
 H   -6.348600      -2.828700     -0.1292000    
 H   -3.520100       3.338800       2.239300    
 H   -4.170300       3.144400      -2.003600    
 H    5.136800      -1.512500       1.590300    
 H    5.247900       1.999000     -0.9031000    
 H   -4.154700       4.442800      0.1101000    
 H    7.579000      -1.776000       1.318600    
 H    7.690400       1.725800      -1.169000    
 H    8.860400     -0.1602000     -6.0500000E-02


%chk=000061996-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000061996

0 1
O -3.514020 -2.785838 0.278205
N 1.389080 -0.287032 -0.239092
N -2.932351 -0.528945 0.151735
C -1.478434 -0.883164 0.061796
C -0.859322 -0.586096 -1.333294
C -0.653814 -0.202853 1.177529
C 0.637287 -0.986509 -1.310110
C 0.825043 -0.624909 1.090871
C -1.589729 -1.333051 -2.468501
C 2.848987 -0.526465 -0.332595
C 3.684369 0.507301 0.471682
C -3.319173 0.866399 0.203725
C -3.872855 -1.567335 0.266327
C -5.349226 -1.155940 0.369482
C 5.176364 0.313193 0.248539
C -3.572722 1.484108 1.454249
C -3.442165 1.627029 -0.985970
C -6.297831 -2.354516 0.187538
C -3.949707 2.843530 1.515177
C -3.814200 2.988830 -0.922717
C 5.905012 -0.644994 1.000828
C 5.865865 1.052606 -0.747154
C -4.070751 3.600532 0.326127
C 7.282131 -0.858812 0.767167
C 7.243437 0.843415 -0.985028
C 7.957174 -0.114904 -0.228545
H -1.461890 -1.980319 0.216238
H -0.898488 0.507849 -1.511296
H -0.714037 0.897394 1.083618
H -1.060878 -0.486719 2.167012
H 1.094877 -0.727483 -2.283590
H 0.705900 -2.102512 -1.197117
H 1.400720 -0.100001 1.873421
H 0.912188 -1.726064 1.294295
H -2.659808 -1.062097 -2.508651
H -1.140317 -1.098794 -3.451724
H -1.538584 -2.427194 -2.316829
H 3.137764 -0.447510 -1.398035
H 3.126932 -1.560162 -0.000456
H 3.364724 1.516493 0.153800
H 3.452821 0.414076 1.549759
H -5.567157 -0.363816 -0.371808
H -5.516485 -0.686634 1.359643
H -3.467362 0.892852 2.370778
H -3.259588 1.147035 -1.952788
H -7.347734 -2.038229 0.324899
H -6.065284 -3.149904 0.914773
H -6.192282 -2.794703 -0.819131
H -4.144383 3.311301 2.486619
H -3.908374 3.568967 -1.847424
H 5.390197 -1.220802 1.780560
H 5.319562 1.801571 -1.334465
H -4.361921 4.655629 0.372531
H 7.828607 -1.600191 1.361521
H 7.759649 1.428775 -1.754744
H 9.025784 -0.276789 -0.409482


