%chk=000005229.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005229

1 1
 O   0.9858000      0.7072000     -0.3148000    
 O    4.372100      -4.540000      0.2022000    
 O   -7.604300     -0.3196000     -0.6756000    
 N    2.920400       3.082600     -0.4976000    
 N    3.157000       5.038500      0.3821000    
 C    2.339800      0.7440000      0.1156000    
 C    3.134400       1.672600     -0.8076000    
 C    2.882500     -0.6663000      0.1392000    
 C   0.1118000      0.3363000      0.7425000    
 C   -1.316500      0.3162000      0.2165000    
 C   -2.328100     -6.1999999E-02   1.305600    
 C   -3.722800     -0.1297000      0.7822000    
 C    2.987500      -1.392500      -1.047100    
 C    3.278200      -1.242000       1.346600    
 C    3.650800       3.796100      0.3655000    
 C    1.943400       3.881700      -1.041100    
 C    3.488200      -2.694100      -1.026100    
 C    3.778800      -2.543600       1.367700    
 C    2.093300       5.120300     -0.4841000    
 C    3.883900      -3.269700      0.1813000    
 C   -4.530500       1.007300      0.7990000    
 C   -4.219500      -1.330700      0.2756000    
 C   -5.835000      0.9435000      0.3092000    
 C   -5.523900      -1.394600     -0.2141000    
 C   -6.331700     -0.2575000     -0.1973000    
 C    4.452500      -5.225300      -1.046700    
 C   -8.048300      -1.578700      -1.178800    
 H    2.390000       1.174100       1.125700    
 H    4.211900       1.487600     -0.7116000    
 H    2.866500       1.515800      -1.860000    
 H   0.1916000       1.063700       1.559200    
 H   0.3689000     -0.6569000       1.126400    
 H   -1.561800       1.299100     -0.2067000    
 H   -1.379300     -0.3868000     -0.6245000    
 H   -2.053600      -1.028800       1.747600    
 H   -2.275000      0.6623000       2.128700    
 H    2.677800     -0.9608000      -1.995100    
 H    3.201400     -0.6891000       2.279000    
 H    4.486200       3.441500      0.9473000    
 H    1.268900       3.451000      -1.756000    
 H    3.541400      -3.201700      -1.983100    
 H    4.085200      -2.986900       2.311300    
 H    3.514500       5.802100      0.9493000    
 H    1.596100       6.065700     -0.5722000    
 H   -4.154500       1.949400       1.189100    
 H   -3.598600      -2.222600      0.2556000    
 H   -6.459300       1.832700      0.3242000    
 H   -5.845600      -2.358400     -0.5935000    
 H    3.461600      -5.372300      -1.489500    
 H    5.145000      -4.728400      -1.734500    
 H    4.862600      -6.220000     -0.8437000    
 H   -9.081300      -1.445700      -1.516800    
 H   -8.064600      -2.342700     -0.3941000    
 H   -7.464500      -1.892000      -2.051000    


%chk=000005229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005229

1 1
O 1.054649 0.758534 0.006256
O 4.964147 -4.458067 0.227964
O -7.671826 0.271043 -0.641901
N 2.705182 3.067215 -0.547561
N 2.694520 5.253320 -0.301833
C 2.474702 0.720111 0.397044
C 3.173723 1.652541 -0.620750
C 3.098652 -0.666246 0.334224
C 0.157338 0.005281 0.919419
C -1.275500 0.184871 0.414671
C -2.302782 -0.588216 1.290637
C -3.728835 -0.408205 0.788849
C 2.890297 -1.501824 -0.790224
C 3.918602 -1.136382 1.393926
C 3.486338 4.143600 -0.259195
C 1.388071 3.503816 -0.779681
C 3.486888 -2.777234 -0.870807
C 4.526815 -2.400545 1.327230
C 1.381934 4.881517 -0.625948
C 4.316849 -3.227524 0.191271
C -4.490059 0.736406 1.152177
C -4.325047 -1.350528 -0.081477
C -5.792599 0.934913 0.661849
C -5.633940 -1.171933 -0.586626
C -6.370606 -0.020207 -0.213921
C 4.785410 -5.375621 -0.907532
C -8.333928 -0.699457 -1.519723
H 2.591781 1.132155 1.425256
H 4.262694 1.643680 -0.451009
H 2.971599 1.279731 -1.639355
H 0.274722 0.402667 1.951055
H 0.452885 -1.062434 0.919172
H -1.538726 1.260524 0.409964
H -1.343813 -0.171388 -0.630393
H -2.034873 -1.662781 1.294107
H -2.220798 -0.235160 2.338099
H 2.227100 -1.166719 -1.597225
H 4.076360 -0.514162 2.284056
H 4.549848 4.124641 -0.043684
H 0.597104 2.792220 -0.993142
H 3.301604 -3.406821 -1.745648
H 5.157622 -2.777545 2.137247
H 3.017869 6.206311 -0.126378
H 0.572107 5.598206 -0.717236
H -4.062677 1.475450 1.842147
H -3.765481 -2.249992 -0.368125
H -6.387263 1.807869 0.947887
H -6.064150 -1.927969 -1.250129
H 3.723198 -5.662089 -1.024014
H 5.163355 -4.926448 -1.845333
H 5.383393 -6.261143 -0.651763
H -9.330149 -0.276656 -1.713403
H -8.436544 -1.684234 -1.024390
H -7.786463 -0.817193 -2.475100


