%chk=000029602.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029602

0 1
 O    2.468400     -0.2688000     -0.4790000    
 O    1.551700       1.740100      0.1157000    
 O   -4.499600     -0.6877000      -1.100900    
 N    6.147600     -0.3352000     -0.2635000    
 N   0.2342000     -6.9399998E-02 -0.5699000    
 C    7.142000      -1.343300     -0.6568000    
 C    6.312300      5.2299999E-02   1.144500    
 C    8.565700     -0.8203000     -0.4598000    
 C    7.708800      0.6208000       1.400600    
 C    8.794200     -0.3619000      0.9759000    
 C    4.792900     -0.8325000     -0.5021000    
 C    3.765400      0.2516000     -0.2182000    
 C    1.412900      0.5865000     -0.2721000    
 C   -1.084600      0.4341000     -0.4969000    
 C   -2.145800     -0.3883000     -0.8401000    
 C   -1.290500       1.740400     -8.2400002E-02
 C   -3.447200      0.1086000     -0.7672000    
 C   -2.591800       2.237200     -9.4999997E-03
 C   -3.670100       1.421400     -0.3519000    
 C   -5.600800     -0.6843000     -0.2615000    
 C   -5.405900     -0.7576000       1.106000    
 C   -6.867400     -0.6079000     -0.8119000    
 C   -6.515100     -0.7540000       1.951600    
 C   -7.976700     -0.6043000      3.3900000E-02
 C   -7.800600     -0.6774000       1.415700    
 H    7.016100      -1.596100      -1.716600    
 H    7.007600      -2.269400     -8.2500003E-02
 H    6.130900     -0.8003000       1.811900    
 H    5.626100      0.8523000       1.433900    
 H    9.287000      -1.604300     -0.7166000    
 H    8.747200      1.8100001E-02  -1.144400    
 H    7.823300      0.8588000       2.464200    
 H    7.831100       1.560800      0.8475000    
 H    8.782300      -1.231700       1.644200    
 H    9.781400      0.1037000       1.069900    
 H    4.681900      -1.142100      -1.549600    
 H    4.573000      -1.723500      0.1013000    
 H    3.768700      0.5618000      0.8297000    
 H    3.943600       1.124900     -0.8574000    
 H   0.3236000      -1.034000     -0.8800000    
 H   -1.977100      -1.412200      -1.163700    
 H  -0.5083000       2.431100      0.1969000    
 H   -4.670900       1.842900     -0.3080000    
 H   -2.766300       3.261100      0.3086000    
 H   -4.417000     -0.8422000       1.546900    
 H   -7.006000     -0.5506000      -1.887300    
 H   -6.378400     -0.8164000       3.027300    
 H   -8.977600     -0.5449000     -0.3836000    
 H   -8.664300     -0.6760000       2.074100    


%chk=000029602-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029602

0 1
O 2.506769 -0.194190 -0.459469
O 1.664507 1.957283 0.003493
O -4.457751 -0.728951 -0.747257
N 6.224171 -0.433163 -0.120129
N 0.268713 0.088067 -0.445377
C 7.226998 -1.294787 -0.797097
C 6.552961 -0.243626 1.316914
C 8.637403 -0.677879 -0.695791
C 7.940014 0.408293 1.486161
C 9.026879 -0.434617 0.780696
C 4.826492 -0.874353 -0.335736
C 3.889591 0.340770 -0.328852
C 1.476805 0.747115 -0.272593
C -1.039829 0.630812 -0.339808
C -2.125496 -0.261392 -0.534379
C -1.287271 1.999628 -0.051706
C -3.445754 0.217231 -0.444658
C -2.623004 2.447907 0.025885
C -3.717344 1.577877 -0.169791
C -5.714464 -0.694177 -0.090033
C -5.870173 -0.292417 1.257561
C -6.809234 -1.184428 -0.835791
C -7.149131 -0.375772 1.852179
C -8.079831 -1.265742 -0.225782
C -8.257498 -0.858610 1.117813
H 6.935578 -1.399772 -1.858796
H 7.246888 -2.325185 -0.351408
H 6.539816 -1.227314 1.858688
H 5.778713 0.393714 1.781904
H 9.367819 -1.348877 -1.187712
H 8.642319 0.284593 -1.242883
H 8.166838 0.514983 2.564459
H 7.911613 1.423497 1.045918
H 9.128550 -1.410648 1.299398
H 10.010189 0.068449 0.843774
H 4.753835 -1.372752 -1.319525
H 4.482517 -1.610928 0.430173
H 3.960209 0.924106 0.605753
H 4.102976 1.012896 -1.177601
H 0.351019 -0.906462 -0.666894
H -1.964743 -1.322065 -0.756342
H -0.449834 2.682336 0.100219
H -4.746459 1.944811 -0.125166
H -2.815083 3.505823 0.235836
H -5.011046 0.067298 1.832006
H -6.648065 -1.493936 -1.872762
H -7.274512 -0.068404 2.896414
H -8.930869 -1.644726 -0.802257
H -9.244894 -0.920413 1.587251


