%chk=000170439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170439

1 1
 O    5.961100     -0.8102000     -0.4113000    
 O   -5.716000      0.7340000     -0.8078000    
 O   -4.983100      -2.354300      0.3565000    
 N  -0.2186000      0.6524000      0.4240000    
 N   -4.331600       2.173200      0.4107000    
 N   -2.815200      -2.781000     -0.4124000    
 N    5.316700       1.547500      0.9823000    
 C   -1.421700       1.568600      0.5952000    
 C  -0.6929000     -0.7419000      4.0300000E-02
 C   0.6843000       1.200300     -0.6718000    
 C   0.5560000      0.5827000       1.732200    
 C   -2.211000       1.601100     -0.7072000    
 C   -1.625800      -1.265400       1.124600    
 C    2.086000      0.6702000     -0.5983000    
 C   -3.410900       2.539400     -0.6305000    
 C   -2.107800      -2.683100      0.8349000    
 C    3.048800       1.346100      0.1515000    
 C    2.426900     -0.4975000      -1.280800    
 C    4.352200      0.8542000      0.2187000    
 C    3.730300     -0.9895000      -1.213600    
 C    4.693000     -0.3136000     -0.4638000    
 C   -5.392300       1.308800      0.2236000    
 C   -4.180100      -2.607900     -0.5323000    
 C    6.251900      -1.734000      0.6351000    
 H   -1.031100       2.567900      0.8271000    
 H   -2.008500       1.258400       1.463600    
 H   0.1884000      -1.390800     -3.3000000E-03
 H   -1.130400     -0.7310000     -0.9612000    
 H   0.7041000       2.294000     -0.5791000    
 H   0.2494000      0.9596000      -1.649000    
 H    1.029600       1.551900       1.912100    
 H    1.277000     -0.2393000       1.709700    
 H  -0.1445000      0.4277000       2.558200    
 H   -1.603000       1.944200      -1.548900    
 H   -2.611900      0.6173000     -0.9664000    
 H   -1.141900      -1.303000       2.104100    
 H   -2.526900     -0.6536000       1.220300    
 H   -3.081400       3.564200     -0.4285000    
 H   -3.940800       2.539700      -1.589600    
 H   -2.764900      -3.021900       1.643700    
 H   -1.257800      -3.372000      0.7824000    
 H    2.795300       2.269100      0.6679000    
 H    1.691400      -1.029700      -1.877900    
 H   -4.190600       2.569500       1.335400    
 H   -2.279800      -2.984300      -1.251500    
 H    3.989200      -1.898200      -1.750400    
 H   -5.955200       1.178700       1.162500    
 H   -4.494100      -2.727600      -1.582300    
 H    5.062600       2.395600       1.471000    
 H    6.268000       1.207000       1.021900    
 H    7.308100      -2.008400      0.5659000    
 H    5.647500      -2.639800      0.5232000    
 H    6.071800      -1.282500       1.615800    


%chk=000170439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170439

1 1
O 5.964213 -0.914956 0.041867
O -4.385398 0.048658 -1.783599
O -4.524725 -1.613775 1.162413
N -0.379565 0.864218 0.657138
N -4.605372 1.875816 -0.349483
N -2.852181 -2.830095 0.084427
N 5.372995 1.266536 1.418375
C -1.643057 1.754396 0.498188
C -0.709329 -0.632453 0.435306
C 0.706418 1.321030 -0.408360
C 0.169072 1.083073 2.059484
C -2.139116 1.955182 -0.941925
C -1.480813 -1.306056 1.581177
C 2.065249 0.683412 -0.272850
C -3.524318 2.659785 -0.976345
C -1.902026 -2.755644 1.210292
C 3.064160 1.279002 0.547444
C 2.383818 -0.472034 -1.028200
C 4.363555 0.724647 0.645268
C 3.676592 -1.044459 -0.946069
C 4.652728 -0.463013 -0.118241
C -4.991918 0.644823 -0.842759
C -4.121069 -2.292432 0.170252
C 6.397534 -2.087163 -0.732360
H -1.380994 2.725303 0.957482
H -2.432018 1.282984 1.109305
H 0.266469 -1.124268 0.280647
H -1.286878 -0.688832 -0.503486
H 0.749951 2.418515 -0.291778
H 0.252508 1.081180 -1.382168
H 0.528561 2.120620 2.137701
H 1.005297 0.392868 2.237425
H -0.632630 0.915150 2.792779
H -1.442871 2.590368 -1.517947
H -2.258363 0.996893 -1.476553
H -0.853089 -1.379768 2.487681
H -2.405730 -0.762803 1.842444
H -3.478480 3.643132 -0.474369
H -3.770983 2.836508 -2.039947
H -2.370873 -3.197327 2.109229
H -1.018162 -3.367568 0.955249
H 2.847348 2.204942 1.095440
H 1.647584 -0.907723 -1.713480
H -5.182808 2.307917 0.374724
H -2.623843 -3.403692 -0.729834
H 3.913756 -1.927711 -1.545756
H -5.867858 0.215426 -0.316740
H -4.744710 -2.491587 -0.724338
H 5.240631 2.123888 1.946449
H 6.288737 0.822143 1.409685
H 7.449106 -2.242608 -0.454453
H 6.320535 -1.890410 -1.817806
H 5.802156 -2.979237 -0.462524


