%chk=000128165.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128165

0 1
 O    3.339000      -3.581300      -1.165400    
 O    2.280000       3.691100     -0.6082000    
 O   0.1244000       3.884300      0.2137000    
 O   -5.617400     -0.6572000      0.4124000    
 N    1.659200      -2.057300     -0.6950000    
 N   -1.375200       1.552600     -0.5427000    
 C  -9.0099998E-02 -0.4411000     -0.5892000    
 C    1.001400      -1.154400      0.2546000    
 C    2.023000     -0.2205000      0.9526000    
 C   0.1760000     -0.9110000      -2.047600    
 C  -7.0500001E-02   1.103000     -0.5162000    
 C   0.8676000      -2.251200      -1.888600    
 C    2.330900       1.022800      6.9899999E-02
 C   -1.539000     -0.7266000     -0.2331000    
 C    1.071400       1.768900     -0.2823000    
 C    1.443800      0.2170000       2.321000    
 C    3.304000     -0.9797000       1.242300    
 C   -2.244700      0.4951000     -0.2669000    
 C    2.868600      -2.677600     -0.4785000    
 C    3.661600      -2.122900      0.6448000    
 C   -2.187700      -1.918600      3.3399999E-02
 C    1.185400     -0.9838000       3.197000    
 C    1.075000       3.231400     -0.1866000    
 C   -3.610300      0.5393000     -6.9300003E-02
 C   -3.565900      -1.877400      0.2567000    
 C   -4.270900     -0.6617000      0.2007000    
 C    2.439700       5.113000     -0.5730000    
 C   -6.279300      0.6038000      0.3434000    
 H   0.5323000      -1.847400      0.9566000    
 H   0.8637000     -0.2205000      -2.554100    
 H  -0.7219000     -0.9923000      -2.670200    
 H   0.1564000      -3.061500      -1.699500    
 H    1.492100      -2.517100      -2.746300    
 H    2.844400      0.7314000     -0.8557000    
 H    3.024300       1.672100      0.6209000    
 H   0.5100000      0.7799000       2.215400    
 H    2.150700      0.8862000       2.829600    
 H    3.978600     -0.5661000       1.989500    
 H   -1.617800       2.521500     -0.4097000    
 H    4.594000      -2.616100      0.8955000    
 H   -1.655200      -2.862400      5.7399999E-02
 H   0.2782000      -1.526600       2.917500    
 H    2.014800      -1.691500       3.267400    
 H    1.001500     -0.6327000       4.220200    
 H   -4.095000       1.506400     -0.1243000    
 H   -4.099000      -2.801800      0.4661000    
 H    2.339500       5.479800      0.4531000    
 H    1.706500       5.592800      -1.228400    
 H    3.443300       5.351500     -0.9347000    
 H   -6.207300       1.042700     -0.6576000    
 H   -5.926600       1.287500       1.123100    
 H   -7.341800      0.4220000      0.5358000    


%chk=000128165-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128165

0 1
O 3.319623 -3.672216 -1.351135
O 2.378685 3.756172 -0.168529
O 0.060536 3.867702 -0.451004
O -5.736392 -0.675490 0.363873
N 1.634653 -2.197780 -0.695793
N -1.310520 1.518720 -0.500345
C -0.092364 -0.508973 -0.581609
C 1.028724 -1.234182 0.266200
C 2.094997 -0.275763 0.887055
C 0.182577 -0.995903 -2.067953
C -0.020225 1.011951 -0.518493
C 0.788456 -2.400255 -1.882329
C 2.417893 0.883637 -0.139105
C -1.557965 -0.760625 -0.222129
C 1.170509 1.710004 -0.409964
C 1.582065 0.336770 2.233961
C 3.380964 -1.045374 1.162165
C -2.248506 0.481942 -0.272488
C 2.883437 -2.778797 -0.552458
C 3.718872 -2.206816 0.541362
C -2.283806 -1.938448 0.023736
C 1.354851 -0.668373 3.386161
C 1.121930 3.161708 -0.355266
C -3.639994 0.589853 -0.093483
C -3.681843 -1.866952 0.222411
C -4.349892 -0.616042 0.157621
C 2.377207 5.233305 -0.099637
C -6.490302 0.578544 0.304351
H 0.542670 -1.800406 1.084838
H 0.922583 -0.329911 -2.546402
H -0.744012 -0.988062 -2.663884
H 0.002792 -3.161917 -1.702397
H 1.411016 -2.743854 -2.723989
H 2.822883 0.420350 -1.060930
H 3.211779 1.535070 0.263363
H 0.645675 0.896267 2.053840
H 2.330719 1.089689 2.555112
H 4.071208 -0.586421 1.884569
H -1.447902 2.537737 -0.469949
H 4.664495 -2.724242 0.730094
H -1.783085 -2.911776 0.074510
H 0.541286 -1.382265 3.162609
H 2.264229 -1.256536 3.605510
H 1.069544 -0.129060 4.307862
H -4.141996 1.559835 -0.137683
H -4.275963 -2.761527 0.428064
H 1.758549 5.581138 0.745208
H 1.978038 5.661814 -1.034571
H 3.432184 5.508380 0.042584
H -6.402085 1.054849 -0.691706
H -6.156490 1.287423 1.087262
H -7.536587 0.292907 0.486408


