%chk=000105622.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105622

0 1
 O   -3.193000      0.7876000       2.758200    
 O   -2.180400     -0.9102000       1.578600    
 N   -2.035600     -0.1895000      -1.076600    
 C    3.628300       1.407900     -0.3648000    
 C    5.137100       1.308300     -0.6125000    
 C    2.795600      0.9463000      -1.566800    
 C    5.932900       1.750700      0.6175000    
 C   0.9536000      -2.096600     -0.3757000    
 C   0.6029000      -1.316500      -1.646000    
 C    1.210700      -3.573000     -0.6837000    
 C   0.3807000      0.1455000      -1.364100    
 C    1.316300       1.111800      -1.345300    
 C    7.447600       1.643900      0.4276000    
 C    1.528700      -4.357600      0.5889000    
 C    8.245900       2.055300       1.655100    
 C   -1.013600      0.6055000      -1.099900    
 C    1.753000      -5.831900      0.2931000    
 C   -3.276800      0.4104000     -0.8060000    
 C   -3.742200      0.5351000      0.5031000    
 C   -4.047000      0.8846000      -1.868000    
 C   -4.977500       1.134300      0.7500000    
 C   -5.282100       1.483800      -1.621000    
 C   -5.747400       1.608600     -0.3122000    
 C   -2.959400      4.8900001E-02   1.631600    
 C   -2.478200      0.4066000       3.938600    
 H    3.372900       2.446800     -0.1195000    
 H    3.362500      0.8021000      0.5111000    
 H    5.411200       1.931300      -1.472200    
 H    5.398700      0.2738000     -0.8653000    
 H    3.055000     -9.1799997E-02  -1.797800    
 H    3.072600       1.539200      -2.447200    
 H    1.844400      -1.663900      9.6600004E-02
 H   0.1347000      -2.011500      0.3487000    
 H    5.637500       1.138200       1.478400    
 H    5.674300       2.788100      0.8635000    
 H  -0.2833000      -1.754300      -2.121300    
 H    1.404200      -1.436200      -2.385000    
 H    2.044700      -3.662600      -1.390200    
 H   0.3271000      -4.004900      -1.169500    
 H    1.014700       2.139900      -1.147400    
 H    7.751700       2.270400     -0.4194000    
 H    7.708600      0.6109000      0.1680000    
 H   0.7043000      -4.257300       1.304600    
 H    2.425000      -3.944800       1.066400    
 H    8.038900       3.096000       1.923700    
 H    9.318700       1.959500       1.461200    
 H    7.996100       1.422900       2.512800    
 H   -1.137500       1.689700     -0.9143000    
 H   0.8614000      -6.282500     -0.1545000    
 H    1.980200      -6.373400       1.216600    
 H    2.591400      -5.970200     -0.3970000    
 H   -3.694400      0.7915000      -2.892000    
 H   -5.376000       1.234300       1.756200    
 H   -5.882100       1.852100      -2.448000    
 H   -6.710800       2.072100     -0.1206000    
 H   -2.766100       1.086000       4.745200    
 H   -1.400500      0.4939000       3.771400    
 H   -2.743300     -0.6150000       4.226300    


%chk=000105622-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105622

0 1
O -4.226702 -1.096308 2.355781
O -2.023778 -0.690077 1.726020
N -1.777202 0.273237 -0.874033
C 3.982843 1.561783 -0.684571
C 5.481302 1.331941 -0.982647
C 3.060837 1.106912 -1.854670
C 6.403579 1.770606 0.177193
C 0.941059 -1.601513 0.007416
C 0.738023 -1.010062 -1.417017
C 0.967598 -3.145637 0.009856
C 0.589985 0.500711 -1.387151
C 1.608802 1.404057 -1.580004
C 7.904563 1.546754 -0.117945
C 1.140772 -3.737181 1.427657
C 8.819096 1.986174 1.045919
C -0.740813 1.045447 -1.073308
C 1.150153 -5.281294 1.442120
C -3.083993 0.742985 -0.672337
C -3.870444 0.305747 0.448344
C -3.706285 1.563916 -1.660656
C -5.235469 0.688344 0.536701
C -5.057615 1.939471 -1.547587
C -5.832484 1.500064 -0.446432
C -3.250736 -0.509684 1.524672
C -3.692216 -1.906264 3.471460
H 3.808743 2.637423 -0.476228
H 3.694343 1.013387 0.234270
H 5.761628 1.884897 -1.903892
H 5.651997 0.257020 -1.200531
H 3.219324 0.029517 -2.042988
H 3.380576 1.646151 -2.771732
H 1.888462 -1.211930 0.435180
H 0.119005 -1.249008 0.657561
H 6.125600 1.216211 1.097818
H 6.231365 2.844918 0.398078
H -0.188562 -1.444963 -1.836508
H 1.576950 -1.314237 -2.070733
H 1.785942 -3.513555 -0.645661
H 0.020463 -3.523606 -0.428555
H 1.360030 2.475840 -1.493633
H 8.181505 2.101891 -1.037564
H 8.075882 0.473495 -0.339689
H 0.321995 -3.360131 2.073266
H 2.084860 -3.356562 1.869038
H 8.687675 3.061968 1.268684
H 9.885907 1.818080 0.809306
H 8.584590 1.422471 1.968653
H -0.813733 2.150504 -0.978520
H 0.204324 -5.686425 1.034976
H 1.274606 -5.677717 2.467106
H 1.977178 -5.679139 0.823495
H -3.116125 1.868986 -2.531764
H -5.812305 0.340063 1.397545
H -5.509703 2.571060 -2.320898
H -6.885127 1.787597 -0.359353
H -4.581576 -2.268130 4.006840
H -3.055976 -1.288263 4.128044
H -3.093818 -2.747838 3.082805


