%chk=000163888.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163888

0 1
 O    2.663400     -0.3594000      -1.034500    
 O    1.939200       2.209100       1.360800    
 O    4.128600       2.140500     -0.2639000    
 O   -3.843000      -1.806700      0.3191000    
 O    4.304700      -2.591100     -0.5951000    
 N   0.5222000     -0.2590000     -0.1018000    
 N   -3.431500      0.4188000     -0.1215000    
 N  -0.7567000      -2.109700      0.2830000    
 N   -1.244900       1.413500     -0.3965000    
 N   -3.105400       2.710000     -0.6426000    
 C    1.722200      0.4868000     -0.3542000    
 C    2.399800      0.9465000      0.9252000    
 C    3.857000      0.9761000      0.5156000    
 C    3.955600     -0.2358000     -0.4009000    
 C    4.244500      -1.532100      0.3441000    
 C  -0.7651000      0.2326000     -0.1684000    
 C   -1.577500      -1.010600      9.9900000E-02
 C   0.4505000      -1.611700      0.1493000    
 C   -2.895000     -0.8259000      0.1059000    
 C   -4.865500      0.3318000     -0.1362000    
 C   -5.066400      -1.048700      0.5004000    
 C   -2.636400       1.525000     -0.3876000    
 H    1.506800       1.332600      -1.018600    
 H    2.249000      0.2262000       1.737600    
 H    4.548100      0.9684000       1.363300    
 H    4.687000     -9.2900001E-02  -1.204200    
 H    3.464300      -1.777400       1.069100    
 H    5.201400      -1.480300      0.8730000    
 H    1.383700      -2.184100      0.2208000    
 H    2.121800       2.855200      0.6575000    
 H    5.061800       2.098000     -0.5342000    
 H   -5.239200      0.3449000      -1.165700    
 H   -5.364300       1.114900      0.4429000    
 H   -5.248300     -0.9616000       1.578400    
 H   -5.902800      -1.591100      4.8999999E-02
 H    5.032300      -2.399500      -1.210900    
 H   -4.129000       2.691200     -0.6167000    


%chk=000163888-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163888

0 1
O 2.532073 -0.423402 -0.863356
O 2.189515 1.833147 2.054569
O 3.908193 2.336885 0.097949
O -4.058473 -1.646125 0.677818
O 4.468665 -2.361260 -1.380950
N 0.491597 -0.356790 0.375807
N -3.416141 0.336249 -0.288187
N -0.872118 -2.053186 1.138159
N -1.155471 1.175157 -0.573412
N -2.954073 2.457850 -1.440034
C 1.684021 0.390246 0.052647
C 2.620087 0.712927 1.256366
C 3.983435 0.937383 0.548525
C 3.969022 -0.071642 -0.619728
C 4.698430 -1.390906 -0.315625
C -0.816161 0.049448 0.044337
C -1.648559 -1.030971 0.544105
C 0.382464 -1.615406 1.017252
C -3.003952 -0.827518 0.340557
C -4.886182 0.348450 -0.464824
C -5.329799 -0.902173 0.345989
C -2.518031 1.393072 -0.807408
H 1.354509 1.319304 -0.450349
H 2.675198 -0.151220 1.940273
H 4.844195 0.790664 1.229615
H 4.361882 0.373165 -1.553664
H 4.362481 -1.788852 0.668375
H 5.791265 -1.236093 -0.283431
H 1.258024 -2.168833 1.348948
H 2.428100 2.657951 1.550203
H 4.754978 2.621065 -0.323054
H -5.144338 0.274007 -1.537361
H -5.320514 1.278072 -0.056780
H -5.807275 -0.645572 1.305142
H -5.961950 -1.598039 -0.224056
H 3.491003 -2.377154 -1.558031
H -3.983200 2.504601 -1.554989


