%chk=000135180.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135180

0 1
 O    4.279400       3.054100     -0.9006000    
 O   -5.606600      -3.164900     -7.4199997E-02
 O   -7.420300      -1.063000     -0.1893000    
 N  -0.1849000       1.457300      0.2705000    
 N    2.592900       1.933400      0.2646000    
 N   -1.990000     -7.5499997E-02  0.1564000    
 N   -2.392800       2.300200      0.1307000    
 N   -4.584400       3.145000     -8.5000005E-03
 N    7.299000      -2.420000     -0.1775000    
 N    6.793500      -3.402200      0.4085000    
 N    6.338000      -4.302200      0.9424000    
 C   0.7417000      0.3175000      0.3296000    
 C   0.3386000       2.687800     -0.3463000    
 C    2.071400      0.7468000      0.9469000    
 C    1.678900       3.070900      0.2785000    
 C   -1.562200       1.222700      0.1832000    
 C    3.849400       2.053200     -0.3294000    
 C    4.746100      0.8911000     -0.2900000    
 C   -3.311600     -0.3084000      7.2099999E-02
 C   -4.239200      0.7446000      1.3100000E-02
 C   -3.709400       2.031500      4.6999998E-02
 C   -3.804000      -1.610900      4.0700000E-02
 C    4.710100     -4.5200001E-02  -1.319300    
 C    5.626500      0.7326000      0.7765000    
 C   -5.618800      0.4890000     -7.4699998E-02
 C   -5.174500      -1.873200     -4.6599999E-02
 C   -6.083100     -0.8223000     -0.1043000    
 C    5.561700      -1.149300      -1.281700    
 C    6.478100     -0.3714000      0.8140000    
 C    6.445800      -1.312500     -0.2152000    
 C   -5.731100      -3.779200      -1.355300    
 C   -8.138400      -1.177600       1.038100    
 H   0.9019000     -7.0699997E-02 -0.6839000    
 H   0.3369000     -0.4952000      0.9442000    
 H  -0.3407000       3.537600     -0.2147000    
 H   0.4591000       2.521500      -1.424100    
 H    1.933100       1.017400       2.000900    
 H    2.775300     -8.7399997E-02  0.9157000    
 H    2.108500       3.925800     -0.2533000    
 H    1.543200       3.366800       1.325800    
 H   -3.107000      -2.446400      8.6000003E-02
 H   -6.350600       1.290300     -0.1308000    
 H    4.024200      7.2899997E-02  -2.153900    
 H    5.658700       1.460200       1.583200    
 H    5.528900      -1.876600      -2.088800    
 H    7.163600     -0.4890000       1.649200    
 H   -4.137500       4.054700     -8.0000004E-03
 H   -5.476000       3.082000      0.4664000    
 H   -4.759700      -3.816900      -1.858500    
 H   -6.454200      -3.238000      -1.973700    
 H   -6.090500      -4.801700      -1.211400    
 H   -8.075800     -0.2446000       1.607200    
 H   -7.750700      -2.009100       1.635100    
 H   -9.188000      -1.374900      0.8037000    


%chk=000135180-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135180

0 1
O 4.256870 2.993822 0.808944
O -5.908256 -3.066323 0.029610
O -7.671906 -0.750176 0.192668
N -0.212944 1.283360 -0.568706
N 2.438290 1.590246 0.417170
N -2.072830 -0.145604 -0.371355
N -2.336931 2.289668 -0.426614
N -4.399954 3.342564 -0.298529
N 7.700489 -2.323267 -0.395235
N 8.734807 -2.492639 0.315371
N 9.747189 -2.816547 0.843153
C 0.697884 0.127960 -0.592818
C 0.438906 2.602558 -0.637629
C 1.762148 0.275481 0.517467
C 1.501413 2.736836 0.475477
C -1.587060 1.121563 -0.449488
C 3.805584 1.829721 0.545755
C 4.766737 0.688010 0.329519
C -3.446163 -0.270327 -0.247834
C -4.329423 0.873532 -0.203861
C -3.676944 2.169910 -0.311284
C -4.020680 -1.577568 -0.178949
C 4.663492 -0.215926 -0.760891
C 5.898894 0.605701 1.180163
C -5.730704 0.678800 -0.044353
C -5.400495 -1.751719 -0.055597
C -6.270796 -0.606733 0.046113
C 5.649261 -1.195439 -0.981017
C 6.882839 -0.379885 0.985386
C 6.755057 -1.288386 -0.100254
C -6.836864 -3.449068 -1.061635
C -8.091927 -1.351881 1.481453
H 1.199318 0.070058 -1.582355
H 0.094627 -0.781061 -0.443878
H -0.338311 3.373975 -0.531789
H 0.931175 2.721993 -1.625137
H 1.256613 0.210285 1.503802
H 2.499626 -0.538149 0.459334
H 2.089755 3.661389 0.362101
H 1.001631 2.760504 1.465549
H -3.365670 -2.450268 -0.239334
H -6.434615 1.515349 0.032893
H 3.826740 -0.131804 -1.462838
H 6.001559 1.338240 1.987054
H 5.584924 -1.885901 -1.827015
H 7.745480 -0.437176 1.659287
H -3.887194 4.217943 -0.381940
H -5.413566 3.354446 -0.250881
H -6.297785 -3.455416 -2.027660
H -7.695407 -2.756011 -1.112966
H -7.173244 -4.467020 -0.813448
H -7.798063 -0.693603 2.321187
H -7.642251 -2.352289 1.614583
H -9.188827 -1.425127 1.427450


