%chk=000017915.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017915

0 1
 O   0.5051000      0.8520000      4.5600001E-02
 O   -1.623100      0.6703000      -1.565800    
 O   -1.086500       1.836100       1.382400    
 N    5.602300      0.2752000      0.3325000    
 C    2.857900       1.266200      4.8000000E-02
 C    3.984300       2.121500      0.6380000    
 C    3.179800     -0.2193000      0.2423000    
 C    5.348600       1.701200      8.7399997E-02
 C    4.571000     -0.5623000     -0.2946000    
 C    1.512600       1.622500      0.6745000    
 C    6.930500     -9.9399999E-02 -0.1526000    
 C    7.242900      -1.551200      0.1680000    
 C   -1.764000      0.1298000     -0.2361000    
 C  -0.7817000       1.049700      0.4935000    
 C   -1.320000      -1.334700     -0.2264000    
 C   -3.212800      0.2640000      0.2392000    
 C   -1.502700      -2.126200      -1.360400    
 C   -3.488000      0.4494000       1.594100    
 C  -0.7322000      -1.877900      0.9161000    
 C   -4.258000      0.2015000     -0.6825000    
 C   -1.976600       2.038900      -1.590100    
 C   -1.097800      -3.461000      -1.351800    
 C   -4.808100      0.5720000       2.027400    
 C  -0.3273000      -3.212700      0.9244000    
 C   -5.578200      0.3241000     -0.2491000    
 C   -1.814700       2.564900      -3.000300    
 C  -0.5101000      -4.004200     -0.2095000    
 C   -5.853200      0.5094000       1.105900    
 H    2.797100       1.454600      -1.033000    
 H    3.810100       3.179200      0.4071000    
 H    3.990200       2.031600       1.732300    
 H    3.126100     -0.4792000       1.307900    
 H    2.438500     -0.8417000     -0.2731000    
 H    6.116600       2.306300      0.5846000    
 H    5.398400       1.929100     -0.9855000    
 H    4.583900     -0.4511000      -1.386800    
 H    4.723200      -1.622500     -6.9499999E-02
 H    1.302400       2.688100      0.5233000    
 H    1.520900       1.412300       1.751000    
 H    7.033800      7.1300000E-02  -1.231600    
 H    7.683300      0.5224000      0.3477000    
 H    7.012400      -1.796300       1.210400    
 H    6.713400      -2.248800     -0.4879000    
 H    8.312900      -1.735300      1.9300001E-02
 H   -1.965400      -1.728700      -2.259300    
 H   -2.709200      0.4459000       2.350000    
 H  -0.5887000      -1.284900       1.815000    
 H   -4.075200      3.4699999E-02  -1.740500    
 H   -1.314700       2.667600     -0.9865000    
 H   -3.004400       2.246100      -1.285300    
 H   -1.241900      -4.078100      -2.233900    
 H   -5.023600      0.7025000       3.084000    
 H   0.1284000      -3.636400       1.814600    
 H   -6.392500      0.2694000     -0.9657000    
 H   -2.461700       2.015200      -3.692000    
 H  -0.7856000       2.427100      -3.348900    
 H   -2.065300       3.628300      -3.055600    
 H  -0.1957000      -5.043700     -0.2026000    
 H   -6.881300      0.6004000       1.443700    


%chk=000017915-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017915

0 1
O 0.554567 0.921384 -0.025447
O -2.107773 1.041339 -1.756345
O -0.954715 2.521585 0.707308
N 5.656167 0.023762 0.556268
C 2.976183 1.114080 -0.057099
C 4.200851 2.025119 0.203184
C 3.172647 -0.231823 0.677835
C 5.505081 1.301425 -0.184968
C 4.512037 -0.884654 0.284123
C 1.685956 1.822184 0.358423
C 6.976005 -0.602460 0.283874
C 7.311455 -1.767838 1.232932
C -1.802819 0.453311 -0.415932
C -0.723635 1.400742 0.187452
C -1.227959 -0.947602 -0.702313
C -3.080411 0.350014 0.436403
C -0.759623 -1.294452 -1.991234
C -3.201316 0.841333 1.757796
C -1.134775 -1.894859 0.346657
C -4.185198 -0.322905 -0.150437
C -2.830387 2.338748 -1.771869
C -0.208147 -2.573896 -2.226991
C -4.404384 0.656844 2.480322
C -0.574469 -3.169272 0.113118
C -5.386129 -0.497504 0.564998
C -3.045588 2.682352 -3.245809
C -0.108455 -3.515149 -1.176781
C -5.499845 -0.009101 1.889280
H 2.915595 0.910285 -1.147059
H 4.118923 2.967033 -0.374933
H 4.246627 2.289932 1.278128
H 3.171972 -0.053192 1.771938
H 2.338709 -0.918237 0.443353
H 6.374860 1.943538 0.050100
H 5.507853 1.131695 -1.296272
H 4.477853 -1.170471 -0.802359
H 4.649789 -1.814356 0.862788
H 1.548510 2.791132 -0.157139
H 1.637435 1.995787 1.450380
H 7.049184 -0.953835 -0.779831
H 7.741365 0.188061 0.409214
H 7.197994 -1.446944 2.283509
H 6.662119 -2.645611 1.066602
H 8.355699 -2.095435 1.076505
H -0.837920 -0.560748 -2.797080
H -2.373679 1.384335 2.221592
H -1.508944 -1.641279 1.345177
H -4.088313 -0.705854 -1.172726
H -2.229066 3.111587 -1.256125
H -3.793512 2.232693 -1.235912
H 0.146505 -2.834621 -3.230926
H -4.484082 1.041832 3.503235
H -0.509132 -3.893034 0.933529
H -6.229392 -1.017375 0.096551
H -3.638609 1.899230 -3.749422
H -2.079523 2.778563 -3.771322
H -3.587597 3.641869 -3.332760
H 0.320445 -4.506803 -1.361183
H -6.430591 -0.147283 2.450999


