%chk=000042151.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042151

0 1
 O  -0.9649000      -1.074100      -2.236600    
 O   -2.544500      -2.490100      -1.311700    
 C   0.5978000       2.449800      -1.301100    
 C  -0.2606000       2.486400     -3.4200002E-02
 C    1.907600       3.235700      -1.172800    
 C   -1.548700       1.680200     -0.2144000    
 C    2.851800       2.783100     -5.3900000E-02
 C   -2.459800       1.703700       1.016400    
 C    3.261900       1.312800     -0.1618000    
 C   -3.800500      0.9766000      0.8665000    
 C    4.275300      0.9369000      0.9266000    
 C   -4.679900      0.9435000       2.118500    
 C    4.736400     -0.5198000      0.8357000    
 C   -5.959400      0.1420000       1.938600    
 C    3.628400      -1.464800       1.029300    
 C    2.699000      -2.215200       1.154200    
 C    1.535300      -3.102400       1.269200    
 C   0.4655000      -2.744800      0.3291000    
 C  -0.3965000      -2.425700     -0.4437000    
 C   -1.420500      -2.014500      -1.367100    
 C   -1.923800     -0.5995000      -3.187100    
 H   2.3600001E-02   2.874200      -2.134300    
 H   0.8120000       1.411000      -1.577300    
 H   0.2934000       2.072200      0.8151000    
 H  -0.5062000       3.526000      0.2128000    
 H    1.671700       4.296100      -1.018700    
 H    2.440100       3.175400      -2.130200    
 H   -1.288100      0.6416000     -0.4250000    
 H   -2.102700       2.061300      -1.080400    
 H    2.392400       2.970500      0.9234000    
 H    3.750900       3.411100     -9.4099998E-02
 H   -2.662400       2.747700       1.287000    
 H   -1.915200       1.266000       1.862700    
 H    2.373900      0.6790000     -7.0900001E-02
 H    3.698800       1.124500      -1.149800    
 H   -4.364100       1.442200      4.8200000E-02
 H   -3.598500     -5.5599999E-02  0.5531000    
 H    3.833300       1.122500       1.913900    
 H    5.154800       1.587100      0.8431000    
 H   -4.936700       1.969600       2.406700    
 H   -4.108800      0.5135000       2.949800    
 H    5.502900     -0.6985000       1.598600    
 H    5.209000     -0.6974000     -0.1373000    
 H   -5.735600     -0.9001000       1.689400    
 H   -6.548300      0.1533000       2.860900    
 H   -6.573500      0.5628000       1.136200    
 H    1.846900      -4.137700       1.089900    
 H    1.147800      -3.064300       2.293700    
 H   -1.456600      0.1976000      -3.771600    
 H   -2.800300     -0.1904000      -2.675300    
 H   -2.214300      -1.409300      -3.862800    


%chk=000042151-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042151

0 1
O -1.450225 -1.502147 -2.126552
O -2.805095 -2.590581 -0.560905
C 0.738066 2.713250 -1.149198
C -0.203580 2.623365 0.074131
C 2.048909 3.500380 -0.896367
C -1.532473 1.905083 -0.252026
C 2.973327 2.911516 0.199768
C -2.490181 1.786733 0.955643
C 3.464439 1.475282 -0.093670
C -3.794237 1.025214 0.626604
C 4.467938 0.966007 0.963069
C -4.774413 0.931592 1.818382
C 4.945851 -0.494411 0.712296
C -6.060253 0.148690 1.474665
C 3.859610 -1.489486 0.805095
C 2.938189 -2.305199 0.890106
C 1.840714 -3.289957 1.003536
C 0.614135 -2.902619 0.277120
C -0.412945 -2.585696 -0.328638
C -1.663153 -2.257512 -0.967840
C -2.684189 -1.111614 -2.854967
H 0.190025 3.201793 -1.981699
H 0.973111 1.688185 -1.500464
H 0.300592 2.084025 0.901740
H -0.416279 3.646335 0.450941
H 1.790329 4.544015 -0.620970
H 2.619008 3.560446 -1.846906
H -1.304434 0.891157 -0.642795
H -2.046754 2.446613 -1.074819
H 2.450947 2.924073 1.177903
H 3.854615 3.576846 0.313819
H -2.740812 2.803051 1.326536
H -1.967703 1.271818 1.788940
H 2.603390 0.780820 -0.135350
H 3.939521 1.447205 -1.097144
H -4.304938 1.523991 -0.225262
H -3.545570 -0.002659 0.289177
H 4.009938 1.027759 1.969915
H 5.360785 1.623431 0.975470
H -5.038206 1.954604 2.157663
H -4.260586 0.443000 2.671286
H 5.737063 -0.754864 1.443274
H 5.411832 -0.556978 -0.291923
H -5.818230 -0.883727 1.159883
H -6.744038 0.088854 2.341611
H -6.608486 0.633550 0.644359
H 2.178594 -4.274793 0.619224
H 1.588314 -3.452365 2.071334
H -2.323064 -0.565334 -3.737156
H -3.313245 -0.468016 -2.217346
H -3.256055 -2.009023 -3.144994


