%chk=000145896.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145896

0 1
 O    2.824700     -1.1300000E-02 -0.5569000    
 O    1.708800      -2.906100      0.6892000    
 O    1.733300       2.892100      0.6898000    
 O    1.859400      -3.074700      -1.601600    
 O    1.885400       3.060400      -1.600900    
 O   -3.323800      8.3999997E-03   1.591600    
 N   -2.728600      1.2300000E-02 -0.6831000    
 N   -5.956700      1.7999999E-02   1.059900    
 C   -1.329200      6.3999998E-03 -0.6511000    
 C  -0.6267000       1.211300     -0.6346000    
 C  -0.6369000      -1.204400     -0.6359000    
 C   0.7679000       1.205200     -0.6036000    
 C   0.7576000      -1.210600     -0.6036000    
 C    1.460000     -5.7000001E-03 -0.5880000    
 C   -1.368400       2.512500     -0.6526000    
 C   -1.390000      -2.499300     -0.6541000    
 C    1.488000      -2.474200     -0.5880000    
 C    1.509600       2.462200     -0.5876000    
 C   -3.619200      1.5300000E-02  0.4009000    
 C   -5.058100      2.1600001E-02 -8.5600004E-02
 C    2.420300      -4.139600      0.8364000    
 C    2.453600       4.120500      0.8373000    
 C    2.567000      -4.451400       2.310500    
 C    2.602300       4.430900       2.311500    
 H   -1.522300       2.867700      0.3715000    
 H  -0.8326000       3.283700      -1.215200    
 H   -2.344500       2.431700      -1.141700    
 H  -0.8607000      -3.275100      -1.216500    
 H   -2.365000      -2.409700      -1.143800    
 H   -1.547500      -2.853100      0.3699000    
 H   -3.128100      3.6800001E-02  -1.618800    
 H    3.175700      0.8933000     -0.5420000    
 H   -5.234900     -0.8611000     -0.7086000    
 H   -5.225900      0.9217000     -0.6855000    
 H    1.863100      -4.942000      0.3405000    
 H    3.410100      -4.045700      0.3761000    
 H    3.442700       4.019500      0.3772000    
 H    1.902100       4.927000      0.3415000    
 H    1.584300      -4.529000       2.787300    
 H    3.105900      -3.647500       2.822500    
 H    3.107400      -5.390200       2.459900    
 H    3.149500       5.365800       2.461200    
 H    1.620100       4.515500       2.788300    
 H    3.135400       3.622900       2.823400    
 H   -6.921400      1.9500000E-02  0.7309000    
 H   -5.839400     -0.8487000       1.583700    


%chk=000145896-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145896

0 1
O 2.829663 -0.613058 -0.167868
O 2.035738 -3.294309 0.426036
O 1.244539 3.162884 0.736962
O 1.208374 -3.607693 -1.725690
O 3.071887 1.810593 0.366294
O -3.271568 0.847131 1.481946
N -2.749916 -0.034365 -0.624100
N -5.915608 1.151270 0.822848
C -1.320939 -0.129412 -0.469684
C -0.550989 1.033912 -0.210381
C -0.734380 -1.425888 -0.610914
C 0.866598 0.878953 -0.031454
C 0.665995 -1.561931 -0.491097
C 1.471738 -0.422755 -0.212795
C -1.237985 2.383011 -0.193416
C -1.629842 -2.622831 -0.870378
C 1.319928 -2.897919 -0.694150
C 1.794678 1.963501 0.347064
C -3.636697 0.394549 0.359168
C -5.124859 0.262479 -0.023872
C 2.815912 -4.564894 0.293564
C 2.212574 4.226196 1.173571
C 3.560208 -4.755912 1.610494
C 1.375292 5.437176 1.568427
H -1.480899 2.684858 0.840514
H -0.602641 3.168627 -0.626205
H -2.187009 2.332368 -0.751088
H -1.105697 -3.574503 -0.703515
H -1.979518 -2.641900 -1.921588
H -2.521019 -2.587016 -0.219274
H -3.158889 -0.428447 -1.475535
H 3.267619 0.302012 0.030854
H -5.386107 -0.820153 0.085053
H -5.243569 0.510007 -1.100646
H 2.109468 -5.387453 0.078212
H 3.497147 -4.459457 -0.569860
H 2.804532 3.822080 2.013498
H 2.898898 4.431919 0.333245
H 2.854310 -4.837895 2.454645
H 4.234742 -3.904771 1.803054
H 4.164367 -5.680782 1.569404
H 2.041532 6.249903 1.910666
H 0.785411 5.809595 0.713693
H 0.682295 5.187445 2.389481
H -6.887204 0.878894 0.972265
H -5.413807 1.426782 1.674255


