%chk=000128302.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128302

0 1
 O    2.582500      0.9573000       1.937000    
 O   -1.613600      0.3720000      -2.544800    
 O   -3.014200      -2.443900       1.832200    
 O    5.855600       2.430300      0.5372000    
 O    4.258900       2.087900      -1.053200    
 O   -4.079900       3.749200      0.7828000    
 N    3.567500     -0.2284000      0.2105000    
 N   -1.781100     -0.7556000      0.7771000    
 N   -1.697500      -2.836400     -8.3700001E-02
 N   0.6050000     -0.7717000       2.117900    
 N   -3.011900       1.985000     -0.2689000    
 N   -4.196600      9.1000004E-03 -0.8460000    
 C  -0.9857000     -0.6188000     -0.4240000    
 C   0.3263000      0.1106000     -0.1633000    
 C  -0.7911000      -2.059700     -0.9101000    
 C    1.229400     -0.6439000      0.8081000    
 C    4.918600      0.2795000      0.4093000    
 C    5.808100     -0.6602000     -0.3965000    
 C    3.532000      -1.229500     -0.8525000    
 C    4.894000      -1.134600      -1.523600    
 C    2.515500      0.1054000       1.049200    
 C   -1.856500      0.1627000      -1.366900    
 C   -2.257900      -2.066400      0.9470000    
 C    4.949700       1.676700     -0.1328000    
 C   -1.885200      -4.257100     -0.2781000    
 C   -3.116200      0.7196000     -0.8035000    
 C   -4.100600       2.626500      0.2900000    
 C   -5.306000      0.6074000     -0.3009000    
 C   -5.348700       1.827200      0.2507000    
 H   0.1244000       1.120000      0.2240000    
 H   0.8535000      0.2697000      -1.112600    
 H   0.2097000      -2.477400     -0.8020000    
 H   -1.089500      -2.192500      -1.956200    
 H    1.465300      -1.653200      0.4763000    
 H    5.154400      0.2880000       1.478800    
 H    6.719800     -0.1878000     -0.7743000    
 H    6.095800      -1.519400      0.2216000    
 H    3.402600      -2.214000     -0.3899000    
 H    2.709000      -1.045300      -1.546900    
 H    5.214600      -2.084600      -1.960300    
 H    4.868300     -0.3855000      -2.323800    
 H   -2.033900      1.1300000E-02   1.394000    
 H    1.245600      -1.236500       2.761500    
 H  -0.2070000      -1.380300       2.063500    
 H   -2.246500      -4.429900      -1.295100    
 H   -2.610900      -4.645400      0.4410000    
 H  -0.9258000      -4.761200     -0.1351000    
 H   -2.117200       2.466100     -0.2806000    
 H    5.892000       3.349100      0.1957000    
 H   -6.211800      1.0500000E-02 -0.3363000    
 H   -6.256600       2.246000      0.6658000    


%chk=000128302-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128302

0 1
O 2.221866 1.177655 1.933652
O -2.716969 -0.118258 -2.332720
O -2.490345 -3.931959 0.680712
O 5.468380 2.559360 0.123154
O 3.718624 1.748547 -1.176536
O -5.905328 2.983451 -0.574860
N 3.354148 -0.392872 0.663312
N -1.716322 -1.688543 0.404876
N -1.484916 -3.130814 -1.321185
N -0.004487 -0.596440 2.238033
N -4.053923 1.545800 -0.739319
N -2.367533 1.357548 0.941068
C -1.063521 -0.885595 -0.655703
C 0.172844 -0.066154 -0.176798
C -0.707238 -1.959356 -1.738910
C 0.890125 -0.688563 1.058026
C 4.600434 0.395534 0.721183
C 5.681487 -0.611295 0.237054
C 3.494608 -1.624866 -0.162563
C 4.911815 -1.495869 -0.777847
C 2.210675 0.095986 1.261921
C -2.217433 0.012438 -1.178095
C -1.956009 -3.017671 -0.004908
C 4.501750 1.610112 -0.214049
C -1.585414 -4.356130 -2.099932
C -2.886797 1.005112 -0.239054
C -4.848693 2.527193 -0.057327
C -3.083179 2.310380 1.669543
C -4.267142 2.886661 1.238564
H -0.123477 0.955531 0.112430
H 0.885288 0.028627 -1.017824
H 0.384769 -2.175347 -1.733808
H -0.999039 -1.610707 -2.745250
H 1.097895 -1.760096 0.873943
H 4.784705 0.771628 1.740179
H 6.558604 -0.106867 -0.198605
H 6.022203 -1.209764 1.100737
H 3.410887 -2.527678 0.473741
H 2.715089 -1.674791 -0.943801
H 5.385693 -2.479434 -0.929291
H 4.851489 -0.987732 -1.756009
H -1.473313 -1.428661 1.388697
H -0.277573 0.381160 2.410305
H 0.416166 -1.005398 3.082383
H -2.093557 -4.178219 -3.066605
H -2.175261 -5.078584 -1.511167
H -0.587911 -4.797875 -2.301891
H -4.357925 1.226304 -1.671586
H 5.400781 3.340531 -0.490239
H -2.641212 2.586481 2.631952
H -4.799608 3.627400 1.839720


