%chk=000173772.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173772

0 1
 O    3.278200       2.313000      0.2754000    
 O   -4.860600       1.458200       1.168400    
 O   -2.935900       1.859400      -1.521400    
 N   -1.889300      0.3314000     -8.0899999E-02
 C    7.535200      -1.364200     -0.1601000    
 C    7.061500      -2.867300     -7.6200001E-02
 C    6.409700     -0.3927000     -4.5100000E-02
 C    8.683900      -1.191300      0.8929000    
 C    8.243900      -1.202200      -1.546300    
 C    6.306900      -3.221800       1.202100    
 C    6.430100      0.5832000      0.9514000    
 C    5.336900     -0.4591000     -0.9341000    
 C    5.377900       1.492500       1.058800    
 C    4.284600      0.4503000     -0.8266000    
 C    4.323100       1.410500      0.1681000    
 C    2.010300       1.826300      0.1879000    
 C   -6.354300     -0.2753000      0.4219000    
 C   -6.625800      -1.328700     -0.4834000    
 C   -4.223000      0.1114000     -0.6855000    
 C   -5.148100      0.4349000      0.3074000    
 C  -0.5696000      0.8380000      1.0100000E-02
 C    1.064600       2.483000     -0.5995000    
 C    1.656100      0.6717000      0.8858000    
 C   -5.683200      -1.640600      -1.476600    
 C   -4.490100     -0.9243000      -1.575800    
 C   -2.969300      0.8426000     -0.8118000    
 C   -7.296700      3.6699999E-02   1.415200    
 C  -0.2353000       1.985000     -0.6891000    
 C   0.3562000      0.1739000      0.7962000    
 C   -7.831800      -2.039100     -0.3685000    
 C   -8.489700     -0.6797000       1.514700    
 C   -8.756800      -1.715600      0.6246000    
 H    7.929600      -3.533700     -0.1641000    
 H    6.413900      -3.105200     -0.9295000    
 H    9.462600      -1.950800      0.7541000    
 H    8.319300      -1.287100       1.921000    
 H    9.170100     -0.2131000      0.7953000    
 H    7.567700      -1.420900      -2.380200    
 H    9.100300      -1.880500      -1.637600    
 H    8.611100     -0.1776000      -1.679900    
 H    6.929000      -3.083400       2.090600    
 H    6.006500      -4.274500       1.172900    
 H    5.398100      -2.624000       1.317300    
 H    7.238700      0.6810000       1.667200    
 H    5.297700      -1.205200      -1.722500    
 H    5.394300       2.251800       1.834900    
 H    3.472600      0.3928000      -1.545500    
 H   -5.870900      -2.446400      -2.183200    
 H   -3.776900      -1.185500      -2.353800    
 H    1.336300       3.382700      -1.145200    
 H    2.365100      0.1526000       1.525300    
 H   -7.149300      0.8451000       2.125700    
 H   -8.061700      -2.852500      -1.053600    
 H  -0.9077000       2.548800      -1.317900    
 H   8.9000002E-02 -0.7233000       1.347600    
 H   -2.063300     -0.5119000      0.4627000    
 H   -9.212400     -0.4264000       2.285000    
 H   -9.686200      -2.272200      0.7020000    
 H   -5.248600       1.279000       2.039300    


%chk=000173772-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173772

0 1
O 3.290651 1.974725 -0.632584
O -3.874883 -1.005309 0.903754
O -3.177060 2.101415 -1.926106
N -2.210026 0.645244 -0.360154
C 7.864431 -1.533414 0.155463
C 7.479039 -2.759385 1.056510
C 6.642360 -0.602155 -0.028131
C 9.077724 -0.796385 0.779333
C 8.303322 -2.075738 -1.239630
C 7.019662 -2.413697 2.489218
C 6.654483 0.768823 0.337597
C 5.441017 -1.108951 -0.597155
C 5.524694 1.596317 0.157073
C 4.302486 -0.300679 -0.790466
C 4.348286 1.059065 -0.402270
C 1.935476 1.561013 -0.579983
C -6.294831 -0.875998 0.425918
C -7.371436 -0.246128 -0.309961
C -4.654175 0.615011 -0.718474
C -4.947531 -0.414467 0.196062
C -0.838914 0.994922 -0.474065
C 1.038351 2.250344 -1.422862
C 1.454795 0.591744 0.332111
C -7.064174 0.803571 -1.236701
C -5.750920 1.211354 -1.428781
C -3.289280 1.180507 -1.051368
C -6.615789 -1.928313 1.347751
C -0.342775 1.977710 -1.375779
C 0.076347 0.313261 0.375929
C -8.715399 -0.691575 -0.090787
C -7.936585 -2.341590 1.539133
C -8.998078 -1.717101 0.813448
H 8.358260 -3.434518 1.101115
H 6.676165 -3.331363 0.550024
H 9.913188 -1.507777 0.915804
H 8.843453 -0.361036 1.767009
H 9.436119 0.017584 0.122266
H 7.495314 -2.651811 -1.725831
H 9.179182 -2.743858 -1.133593
H 8.579699 -1.245496 -1.914813
H 7.829436 -1.947723 3.079311
H 6.702032 -3.326468 3.026289
H 6.164810 -1.713611 2.473278
H 7.554282 1.211350 0.774253
H 5.386749 -2.158935 -0.907868
H 5.541647 2.653380 0.439689
H 3.399195 -0.715572 -1.248737
H -7.879883 1.278934 -1.791825
H -5.487184 2.007697 -2.131613
H 1.434371 3.004205 -2.109845
H 2.142902 0.072660 1.005987
H -5.835764 -2.441541 1.928545
H -9.523926 -0.208359 -0.651404
H -1.044034 2.507256 -2.022106
H -0.296249 -0.435573 1.085982
H -2.446112 -0.096183 0.314733
H -8.161390 -3.146655 2.246388
H -10.030020 -2.047905 0.970745
H -4.179012 -1.713124 1.520075


