%chk=000159232.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159232

0 1
 O    4.782000     -0.4503000      0.8270000    
 O  -0.9910000      -2.400900     -0.8131000    
 O    1.289300      -3.768100     -0.7334000    
 O   -2.564600      -1.332400      0.6285000    
 O   -4.757600      0.1743000      0.4440000    
 N    2.733700       2.457100     -0.1449000    
 C    1.413300       1.854200      0.1712000    
 C    1.375700      0.3415000     -7.6499999E-02
 C   0.2804000       2.523400     -0.6408000    
 C    2.575100     -0.3998000     -0.1236000    
 C    3.794100       1.711900      0.5460000    
 C    3.909200      0.2963000     -1.8600000E-02
 C   0.1202000     -0.3099000     -0.1996000    
 C   -1.057600       1.880500     -0.3558000    
 C   -1.126100      0.4878000     -0.1406000    
 C    2.523400      -1.781800     -0.3442000    
 C   0.1136000      -1.700300     -0.4098000    
 C    2.810000       3.869200      0.2445000    
 C    1.300800      -2.427500     -0.4823000    
 C   -2.389100     -7.1300000E-02  0.1252000    
 C   -2.221200       2.665200     -0.3490000    
 C   -3.542300      0.7181000      0.1480000    
 C   -3.459400       2.084100     -9.4999999E-02
 C    1.217300      -4.636500      0.3948000    
 C   -2.604100      -1.457500       2.045600    
 C   -5.524900     -0.3272000     -0.6477000    
 H    1.206400       1.989800       1.244200    
 H   0.4754000       2.450000      -1.719000    
 H   0.2109000       3.586800     -0.3871000    
 H    3.620100       1.685200       1.631600    
 H    4.767300       2.203300      0.4122000    
 H    4.352100      0.3297000      -1.022200    
 H    3.443200      -2.357200     -0.4220000    
 H    2.146000       4.489000     -0.3650000    
 H    3.817700       4.263900      6.8899997E-02
 H    2.564400       4.020700       1.301600    
 H   -2.165000       3.734700     -0.5347000    
 H    5.642900      1.9000000E-03  0.8322000    
 H   -4.351500       2.703900     -7.7100001E-02
 H  -0.7509000      -3.326700     -0.9878000    
 H    2.103100      -4.515500       1.026600    
 H    1.184200      -5.667600      3.2400001E-02
 H   0.3115000      -4.441000      0.9776000    
 H   -2.563600      -2.522000       2.293600    
 H   -3.532800      -1.045900       2.451400    
 H   -1.742800     -0.9639000       2.507900    
 H   -5.761400      0.4770000      -1.351600    
 H   -6.460200     -0.7324000     -0.2521000    
 H   -4.985300      -1.129400      -1.161000    


%chk=000159232-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159232

0 1
O 4.622054 -0.708200 1.155160
O -1.215148 -2.318743 -0.874664
O 0.904798 -3.858359 -0.605275
O -2.625755 -1.023451 1.012107
O -4.910338 0.647499 0.464454
N 2.701398 2.354410 0.054228
C 1.316556 1.819869 0.144401
C 1.284164 0.291779 0.050227
C 0.393268 2.360199 -0.983329
C 2.454810 -0.491752 0.093417
C 3.636163 1.570232 0.895056
C 3.805037 0.168958 0.284838
C 0.001512 -0.315433 -0.159892
C -1.026003 1.885669 -0.713679
C -1.197931 0.558183 -0.208316
C 2.381927 -1.898798 -0.075047
C -0.045904 -1.702703 -0.434216
C 2.776679 3.800366 0.349666
C 1.143012 -2.487090 -0.349096
C -2.480664 0.175181 0.276162
C -2.138050 2.741842 -0.853579
C -3.607902 1.020038 0.052353
C -3.435211 2.297949 -0.514029
C 2.054454 -4.760579 -0.555792
C -3.024502 -0.803881 2.423420
C -5.414246 -0.608423 -0.141457
H 0.856274 2.124474 1.124950
H 0.785356 1.987310 -1.950502
H 0.408035 3.462931 -1.019409
H 3.287653 1.463913 1.952834
H 4.611756 2.093595 0.912047
H 4.309824 0.281093 -0.700192
H 3.300019 -2.484812 0.014619
H 2.193826 4.379678 -0.385384
H 3.827021 4.132523 0.275923
H 2.399165 4.058656 1.371305
H -1.991896 3.758432 -1.236045
H 5.550339 -0.360928 1.165111
H -4.317304 2.931256 -0.650520
H -1.027174 -3.291167 -0.971734
H 2.810268 -4.479002 -1.313918
H 1.654694 -5.760840 -0.778776
H 2.517157 -4.754749 0.449417
H -3.099248 -1.811484 2.860785
H -3.996185 -0.280839 2.485778
H -2.246867 -0.221124 2.952860
H -5.520001 -0.482301 -1.235651
H -6.401786 -0.776346 0.315377
H -4.733204 -1.450630 0.074508


