%chk=000094517.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094517

0 1
 O   -1.997200       1.392700     -8.2000000E-03
 O   -4.237600       1.851500     -1.1700000E-02
 N    2.773900      0.4876000     -6.8200000E-02
 C    1.452800      3.2499999E-02 -4.0500000E-02
 C   0.3694000      0.9374000     -2.7000001E-03
 C    3.035000       1.901300     -0.3192000    
 C    3.853100     -0.4638000     -0.3166000    
 C    1.164200      -1.350700     -1.1700000E-02
 C   0.6188000       2.428100     -1.4100000E-02
 C    2.035800       2.764300      0.4351000    
 C    3.595400      -1.766600      0.4259000    
 C    2.276600      -2.372000     -3.7700001E-02
 C  -0.9491000      0.4423000     -3.4000000E-03
 C  -0.1661000      -1.810500     -6.5000001E-03
 C   -1.242500     -0.9200000     -4.6000001E-03
 C   -2.648800      -1.348600     -3.1999999E-03
 C   -3.614000     -0.4189000     -4.9000001E-03
 C   -3.332700       1.024700     -8.8999998E-03
 C   -2.986900      -2.811300      1.0000000E-03
 H    2.980000       2.101300      -1.396600    
 H    4.048100       2.161300      8.8000000E-03
 H    4.808200     -4.5299999E-02  2.1600001E-02
 H    3.941600     -0.6474000      -1.394700    
 H   0.4524000       2.799800      -1.032500    
 H  -8.4200002E-02   2.940600      0.6526000    
 H    2.240800       3.826200      0.2610000    
 H    2.134900       2.585900       1.513800    
 H    3.556700      -1.574300       1.506000    
 H    4.413400      -2.473700      0.2503000    
 H    2.028200      -3.220600      0.6104000    
 H    2.378100      -2.748800      -1.062700    
 H  -0.3374000      -2.885000     -6.5000001E-03
 H   -4.662600     -0.7009000     -3.8000001E-03
 H   -4.069600      -2.980800      3.4000000E-03
 H   -2.582500      -3.301700      0.8928000    
 H   -2.585600      -3.306100     -0.8900000    


%chk=000094517-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094517

0 1
O -1.981488 1.410094 -0.021960
O -4.218238 1.969762 0.032298
N 2.761458 0.477115 -0.114182
C 1.441204 0.015637 -0.085552
C 0.354936 0.948472 -0.064140
C 3.049937 1.913329 -0.305930
C 3.896398 -0.455892 -0.253503
C 1.165408 -1.403288 -0.073237
C 0.595849 2.450085 -0.072058
C 2.014950 2.786516 0.424761
C 3.609042 -1.795377 0.446608
C 2.313154 -2.404417 -0.125430
C -0.960277 0.446541 -0.032229
C -0.160147 -1.844828 -0.026382
C -1.266980 -0.949042 -0.010229
C -2.658417 -1.360461 0.026509
C -3.655853 -0.395348 0.040206
C -3.392309 1.032714 0.019782
C -3.017980 -2.831549 0.051145
H 3.056715 2.169608 -1.389547
H 4.066175 2.109759 0.084556
H 4.787632 0.026009 0.191491
H 4.126465 -0.639217 -1.328154
H 0.452353 2.844673 -1.098720
H -0.170322 2.948879 0.545808
H 2.243162 3.853505 0.248401
H 2.090153 2.601741 1.512803
H 3.501467 -1.624093 1.534119
H 4.464326 -2.478845 0.294074
H 2.038155 -3.322309 0.426044
H 2.497622 -2.713266 -1.175825
H -0.348273 -2.924633 -0.009656
H -4.712983 -0.673041 0.069098
H -4.110733 -2.971493 0.078550
H -2.585113 -3.333602 0.936933
H -2.626848 -3.353240 -0.842652


