%chk=000163906.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163906

0 1
 O   -3.266400      0.1894000      0.2756000    
 O    5.570300       2.119500     -0.1943000    
 O    7.126500     -0.1754000      3.5000001E-03
 N  -0.6349000     -0.8031000      8.8399999E-02
 C   -1.385500     -0.8856000       1.340300    
 C   0.7901000     -0.6718000      0.3495000    
 C   -2.880700     -0.9545000       1.027900    
 C    1.580700     -0.5877000     -0.9567000    
 C  -0.9187000      -2.093400       2.153400    
 C    3.062400     -0.4738000     -0.7004000    
 C   -4.593100      0.2959000     -4.9199998E-02
 C    3.635600      0.7815000     -0.5652000    
 C    3.827000      -1.626500     -0.6039000    
 C   -5.465000      0.9556000      0.8120000    
 C   -5.060200     -0.2572000      -1.238000    
 C    5.006000      0.8867000     -0.3276000    
 C    5.197500      -1.521300     -0.3667000    
 C    5.787100     -0.2648000     -0.2284000    
 C   -6.815900       1.063300      0.4815000    
 C   -6.411000     -0.1493000      -1.568600    
 C   -4.978200       1.554400       2.090500    
 C   -4.136400     -0.9681000      -2.171200    
 C   -7.288900      0.5110000     -0.7089000    
 C    4.702300       3.245300     -0.3091000    
 C    7.549500     -0.1703000       1.365600    
 H   -1.211900      2.9899999E-02   1.921400    
 H    1.180100      -1.536500      0.8961000    
 H   0.9865000      0.2214000      0.9563000    
 H  -0.9620000     -6.0000001E-03 -0.4570000    
 H   -3.109100      -1.866900      0.4628000    
 H   -3.449100     -0.9902000       1.965000    
 H    1.243800      0.2713000      -1.552300    
 H    1.385100      -1.472700      -1.577100    
 H   5.8800001E-02  -1.933000       2.618800    
 H  -0.8762000      -3.003200       1.543900    
 H   -1.617900      -2.287000       2.975400    
 H    2.976300       1.638400     -0.6495000    
 H    3.376800      -2.609600     -0.7082000    
 H    5.799800      -2.422600     -0.2908000    
 H   -7.512400       1.572800       1.142100    
 H   -6.794800     -0.5765000      -2.491300    
 H   -4.887200      0.7823000       2.860700    
 H   -4.007600       2.043300       1.955400    
 H   -5.667300       2.322400       2.459100    
 H   -4.555600      -1.024100      -3.182000    
 H   -3.179200     -0.4431000      -2.257900    
 H   -3.955800      -1.989400      -1.822300    
 H   -8.340900      0.5940000     -0.9658000    
 H    5.318100       4.141200     -0.1776000    
 H    4.255800       3.311000      -1.307100    
 H    3.949900       3.257900      0.4869000    
 H    7.261600      -1.103600       1.859900    
 H    8.639500     -8.5800000E-02   1.385500    
 H    7.122300      0.6848000       1.898900    


%chk=000163906-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000163906

0 1
O -3.203324 0.051155 0.422861
O 5.540739 2.137525 -0.112422
O 7.178066 -0.192864 -0.092956
N -0.709406 -1.183181 0.303760
C -1.542863 -1.336491 1.521121
C 0.739869 -1.005082 0.532821
C -3.015918 -1.257719 1.098461
C 1.466455 -0.752282 -0.812971
C -1.275053 -2.680337 2.231562
C 2.967550 -0.582681 -0.637521
C -4.526960 0.324010 -0.031656
C 3.529407 0.705997 -0.449717
C 3.830316 -1.704271 -0.625227
C -5.307772 1.227673 0.741021
C -4.991921 -0.233138 -1.253556
C 4.918783 0.881594 -0.252070
C 5.215481 -1.539858 -0.407192
C 5.777381 -0.260792 -0.212488
C -6.600407 1.560030 0.269293
C -6.292688 0.128074 -1.689246
C -4.751174 1.825414 2.019325
C -4.128042 -1.168332 -2.081060
C -7.094976 1.010578 -0.935372
C 4.698017 3.327726 -0.241256
C 7.735170 0.577588 1.037217
H -1.357781 -0.506247 2.250656
H 1.153980 -1.922452 0.991427
H 0.967836 -0.163019 1.235098
H -1.089586 -0.406703 -0.259301
H -3.254319 -2.080653 0.395769
H -3.683963 -1.318889 1.980940
H 1.031696 0.152201 -1.285302
H 1.242910 -1.604157 -1.481629
H -0.242018 -2.728585 2.616863
H -1.417799 -3.518601 1.526168
H -1.957409 -2.812783 3.091817
H 2.865909 1.577239 -0.478825
H 3.420064 -2.708216 -0.784227
H 5.897137 -2.396271 -0.394161
H -7.217944 2.256046 0.849399
H -6.669197 -0.284098 -2.633449
H -4.504363 1.043561 2.761792
H -3.814019 2.376935 1.824179
H -5.477763 2.516990 2.479216
H -4.329400 -1.034684 -3.158325
H -3.054420 -0.992636 -1.899354
H -4.332419 -2.230110 -1.840664
H -8.096536 1.278939 -1.289384
H 5.387028 4.179462 -0.140889
H 4.203236 3.362471 -1.231057
H 3.932646 3.371497 0.558197
H 7.358037 0.179789 1.999884
H 8.823649 0.425518 0.972317
H 7.485578 1.647421 0.949411


