%chk=000172422.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172422

0 1
 O   -1.652600     -0.2392000      0.5475000    
 O  -0.7699000      -1.752500     -0.9933000    
 O   -4.440700       1.096200      -2.157100    
 O   -3.790300       2.705100      0.1746000    
 O   -2.040800     -0.3378000      -3.083200    
 O   -2.867700       2.277300       2.672800    
 O   -2.306700      9.1300003E-02   2.993400    
 O    1.120400      -3.294900       1.591000    
 O    4.909300       1.199200     -0.5883000    
 N   0.3584000      -1.940600     -0.1544000    
 C   -3.173400       1.086200      -1.498300    
 C   -3.412200       1.341900     -9.8000001E-03
 C   -2.488300     -0.2610000      -1.729900    
 C   -2.146500       1.072200      0.7943000    
 C   -1.275900     -0.4302000     -0.8139000    
 C   -2.436000       1.060500       2.260300    
 C    1.530000      -1.131700     -0.2661000    
 C   0.2527000      -2.961200      0.7826000    
 C    1.862600     -0.6102000      -1.498300    
 C    2.287700     -0.9005000      0.8622000    
 C   -1.053400      -3.727100      0.7739000    
 C    3.007100      0.1797000      -1.607300    
 C    3.432100     -0.1105000      0.7532000    
 C    3.791800      0.4296000     -0.4816000    
 C    5.291700       1.951800      0.5620000    
 C    6.010700       3.206400      0.1137000    
 H   -2.583900       1.894200      -1.949100    
 H   -4.245400      0.7232000      0.3456000    
 H   -3.198900      -1.082900      -1.578400    
 H   -1.352800       1.806800      0.6095000    
 H  -0.5210000      0.3120000      -1.096500    
 H   -4.852400       1.960000      -1.983300    
 H   -3.059100       3.265500     -0.1367000    
 H   -2.817100     -0.2036000      -3.653500    
 H   -3.065100       2.289700       3.633600    
 H    1.272300     -0.8079000      -2.388100    
 H    2.019300      -1.242500       1.854600    
 H   -1.214400      -4.184900     -0.2060000    
 H   -1.019200      -4.521100       1.525800    
 H   -1.883500      -3.057800       1.015000    
 H    3.284300      0.5949000      -2.572400    
 H    4.022400      4.8500001E-02   1.650800    
 H    5.958300       1.344700       1.184300    
 H    4.421600       2.265600       1.152400    
 H    5.360800       3.817600     -0.5212000    
 H    6.892000       2.952600     -0.4847000    
 H    6.328400       3.804000      0.9728000    


%chk=000172422-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172422

0 1
O -2.297558 -0.482279 0.691371
O -0.570551 -1.379132 -0.626417
O -3.835674 1.468121 -2.670160
O -4.804912 2.236693 -0.075346
O -1.160105 0.518581 -2.715406
O -5.063772 1.120725 2.424354
O -3.867425 -0.818028 2.907444
O 1.252284 -2.782769 2.152936
O 5.099443 1.542711 -1.011138
N 0.509115 -1.517106 0.356345
C -3.099915 1.275689 -1.420227
C -4.048320 0.999604 -0.243924
C -2.118199 0.122902 -1.688613
C -3.181192 0.637614 1.005385
C -1.342145 -0.177792 -0.397624
C -4.016517 0.188352 2.202687
C 1.695401 -0.757102 0.048159
C 0.336572 -2.543090 1.310969
C 1.807982 -0.119392 -1.219979
C 2.748658 -0.623922 0.990454
C -0.974038 -3.306887 1.266404
C 2.950694 0.637076 -1.528398
C 3.898017 0.129354 0.667136
C 4.005260 0.767288 -0.592566
C 6.229159 1.694092 -0.074861
C 7.267709 2.568283 -0.772941
H -2.520337 2.193837 -1.174953
H -4.713905 0.143582 -0.483038
H -2.682979 -0.783057 -1.991229
H -2.608862 1.547701 1.299826
H -0.684479 0.666685 -0.103187
H -4.485079 2.204419 -2.531667
H -5.340929 2.163244 0.760157
H -1.684510 0.863685 -3.484762
H -5.598157 0.843199 3.216810
H 1.009223 -0.210988 -1.960374
H 2.676615 -1.129724 1.953412
H -1.175736 -3.706832 0.258416
H -0.897970 -4.129397 1.992947
H -1.816874 -2.647457 1.535506
H 3.044494 1.130619 -2.500354
H 4.696429 0.202360 1.411291
H 6.643338 0.693907 0.169551
H 5.872118 2.166059 0.864172
H 6.842650 3.556447 -1.018541
H 7.607636 2.094746 -1.709693
H 8.144043 2.715980 -0.115834


