%chk=000159603.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159603

0 1
 O   0.6653000       2.770800      -1.130800    
 O   -3.825700     -0.8890000      0.4711000    
 N  -0.5668000      0.4160000      0.2094000    
 N   -1.236300      -1.582100     -0.4932000    
 N    2.387700      -2.341900     -0.3592000    
 N   0.6529000      -3.846000      -1.017200    
 C  -0.6959000       1.793000      0.6311000    
 C  -0.6180000       2.835200     -0.5049000    
 C   0.5784000     -0.3316000      9.0899996E-02
 C   -1.622600     -0.3741000     -0.1504000    
 C   0.1308000      -1.572100     -0.3487000    
 C    1.939200     -6.0100000E-02  0.3180000    
 C  -0.7723000       4.242200      8.4299996E-02
 C   -1.672500       2.617400      -1.590800    
 C   -3.017100      0.1149000     -0.1397000    
 C    2.815100      -1.135700      6.7699999E-02
 C    1.067000      -2.577900     -0.5708000    
 C    2.398800       1.194600      0.7640000    
 C    4.170200     -0.9045000      0.2818000    
 C    3.760900       1.384600      0.9651000    
 C    4.645100      0.3364000      0.7248000    
 C   -5.188300     -0.4950000      0.5210000    
 C   -5.995900      -1.594800       1.176600    
 H   9.8000001E-03   1.977400       1.439200    
 H   -1.645600       1.906000       1.162000    
 H  -0.6409000       5.007400     -0.6894000    
 H   -1.756500       4.379500      0.5444000    
 H  -7.6000001E-03   4.436800      0.8452000    
 H   -1.527800       1.668200      -2.115800    
 H   -1.578700       3.388600      -2.365700    
 H   -2.689900       2.675400      -1.195000    
 H   -3.184700       1.047000      0.3968000    
 H   -3.352700      0.2468000      -1.175000    
 H    1.286200       3.328300     -0.6332000    
 H    1.789000       2.050400      0.9811000    
 H    4.889300      -1.702100      0.1036000    
 H    4.135200       2.343900       1.309900    
 H    5.710600      0.4804000      0.8815000    
 H    1.346700      -4.564300      -1.174500    
 H  -0.3267000      -4.035500      -1.180000    
 H   -5.289000      0.4285000       1.102000    
 H   -5.561600     -0.3187000     -0.4941000    
 H   -7.054000      -1.323400       1.231500    
 H   -5.899700      -2.530500      0.6160000    
 H   -5.628800      -1.791500       2.189400    


%chk=000159603-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000159603

0 1
O 0.442409 2.584045 -1.070004
O -3.660569 -0.370947 0.586902
N -0.731759 0.105807 -0.034484
N -0.991007 -1.856568 -1.181816
N 2.728132 -2.171729 -0.827905
N 1.251175 -3.647810 -1.925124
C -1.095921 1.405759 0.554391
C -0.859836 2.648075 -0.376732
C 0.552879 -0.459987 -0.139148
C -1.623369 -0.781825 -0.668833
C 0.358095 -1.655988 -0.869070
C 1.865600 -0.097437 0.339762
C -0.939550 3.921070 0.498097
C -1.870060 2.700684 -1.535565
C -3.103572 -0.581908 -0.765892
C 2.922972 -1.014376 -0.073999
C 1.476352 -2.498323 -1.204243
C 2.211728 1.017935 1.165915
C 4.267053 -0.726935 0.320096
C 3.540597 1.261127 1.544522
C 4.577275 0.388643 1.106805
C -5.132204 -0.270303 0.558230
C -5.606075 -0.051793 1.993785
H -0.531698 1.530738 1.494250
H -2.162944 1.351019 0.829850
H -0.794369 4.812841 -0.134987
H -1.919125 4.006808 1.004460
H -0.151847 3.920954 1.276049
H -1.764659 1.806407 -2.172967
H -1.657132 3.582756 -2.162668
H -2.907266 2.770750 -1.161106
H -3.367872 0.287403 -1.406012
H -3.521695 -1.497302 -1.228183
H 1.189521 2.478942 -0.423630
H 1.433475 1.674231 1.570353
H 5.039561 -1.425457 -0.015903
H 3.776867 2.117859 2.184918
H 5.615464 0.584775 1.396184
H 2.038450 -4.244229 -2.166708
H 0.301483 -3.881818 -2.205968
H -5.438188 0.573590 -0.100629
H -5.556347 -1.206938 0.134914
H -6.708698 0.013807 2.029401
H -5.283135 -0.888329 2.636625
H -5.187588 0.882879 2.406067


