%chk=000042567.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042567

0 1
 O   0.4671000      -2.274000     -0.2844000    
 O   0.9485000       2.340600     -0.1401000    
 O   -3.877000       1.116300      -1.710500    
 N   0.7103000      3.3100002E-02 -0.2121000    
 N   -4.354100     -6.9899999E-02  0.2379000    
 N   -3.864000     -0.7746000       1.347400    
 C    2.331000      -3.768400     -0.1041000    
 C    3.071300       3.406900      0.1596000    
 C    3.839400      -3.888000      9.3400002E-02
 C    4.574600       3.203100      0.3247000    
 C    1.878600      -2.315100     -0.1124000    
 C    2.335700       2.081200      2.4900001E-02
 C   -2.049200      0.3308000     -0.5443000    
 C  -0.1122000      -1.033000     -0.3327000    
 C   0.1255000       1.251100     -0.2606000    
 C   -1.484600     -0.9391000     -0.4990000    
 C   -1.235700       1.452000     -0.4235000    
 C    4.281100      -5.341800      0.1443000    
 C    5.310300       4.530400      0.4156000    
 C   -3.484600      0.4868000     -0.7165000    
 C   -5.798100      6.2100001E-02  0.1137000    
 C   -3.613800      0.1096000       2.478800    
 H    2.031100      -4.249300      -1.043600    
 H    1.800300      -4.307500      0.6908000    
 H    2.867100       4.025000     -0.7238000    
 H    2.666900       3.963600       1.014300    
 H    4.363500      -3.379700     -0.7242000    
 H    4.134100      -3.391900       1.025600    
 H    4.773800       2.617100       1.229500    
 H    4.969300       2.633100     -0.5245000    
 H    2.151700      -1.841800      0.8392000    
 H    2.372900      -1.786100     -0.9370000    
 H    2.719700       1.537300     -0.8473000    
 H    2.501100       1.481500      0.9287000    
 H   -2.087300      -1.835500     -0.6069000    
 H   -1.649300       2.455100     -0.4528000    
 H    3.800200      -5.869400      0.9742000    
 H    5.364800      -5.404000      0.2848000    
 H    4.028700      -5.861000     -0.7858000    
 H    5.159000       5.125900     -0.4904000    
 H    6.384900       4.360800      0.5350000    
 H    4.961100       5.114400       1.273100    
 H   -6.242600     -0.9361000      5.4800000E-02
 H   -6.069700      0.6224000     -0.7845000    
 H   -6.189800      0.5879000      0.9891000    
 H   -4.557400      -1.475800       1.605600    
 H   -4.532700      0.5971000       2.820300    
 H   -3.216200     -0.4760000       3.313600    
 H   -2.875400      0.8811000       2.239900    


%chk=000042567-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042567

0 1
O 0.517704 -2.230637 -0.050156
O 1.108455 2.473324 -0.070583
O -3.788928 1.766305 -1.141680
N 0.835394 0.118879 -0.049026
N -4.415691 -0.047381 0.155746
N -4.065013 -1.024419 1.129077
C 2.302165 -3.858138 0.041944
C 3.240408 3.609316 0.014406
C 3.822033 -4.135064 0.122927
C 4.781795 3.500099 0.085718
C 1.995024 -2.359906 0.026027
C 2.572155 2.233794 0.004986
C -1.971478 0.466855 -0.228462
C -0.009254 -0.943565 -0.092158
C 0.280568 1.358121 -0.106879
C -1.416442 -0.833762 -0.172578
C -1.108932 1.590519 -0.210414
C 4.145080 -5.644510 0.138882
C 5.470219 4.881661 0.095863
C -3.440449 0.765541 -0.436843
C -5.846969 0.250931 -0.068086
C -4.252224 -0.604216 2.537418
H 1.883216 -4.323917 -0.870912
H 1.788678 -4.324517 0.904992
H 2.943983 4.162334 -0.897716
H 2.863872 4.190436 0.878322
H 4.331375 -3.657392 -0.738838
H 4.236948 -3.658363 1.034468
H 5.071215 2.936249 0.996191
H 5.150696 2.909701 -0.777890
H 2.356105 -1.852133 0.940901
H 2.447743 -1.851518 -0.846593
H 2.884095 1.626248 -0.866133
H 2.796915 1.655343 0.921589
H -2.032198 -1.730479 -0.173562
H -1.502896 2.603540 -0.302647
H 3.673776 -6.141384 1.007575
H 5.234297 -5.823425 0.196130
H 3.767776 -6.139316 -0.775656
H 5.223095 5.453858 -0.817970
H 6.570070 4.784262 0.147435
H 5.141749 5.481446 0.965343
H -6.369083 -0.654761 -0.431041
H -5.915121 1.045718 -0.825736
H -6.333841 0.600545 0.861706
H -4.509556 -1.924789 0.903987
H -5.291213 -0.301160 2.796863
H -3.962509 -1.450236 3.184644
H -3.574908 0.238263 2.756218


