%chk=000173885.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173885

0 1
 O   0.4251000      0.3762000       1.168800    
 O   -1.411500     -0.9188000       1.946700    
 N    2.363200      -1.632600     -0.9000000    
 N    2.279800     -0.5511000     -1.9000000E-03
 N   -1.164300      -1.565800     -0.2771000    
 N   -3.749500      -2.631300       1.619600    
 C    1.062900      -2.084700      -1.128800    
 C   0.1759000      -1.422700     -0.3757000    
 C   0.9463000     -0.4207000      0.4059000    
 C   -3.392600      -1.546000      0.7048000    
 C   -4.199600     -0.2860000       1.050500    
 C    3.310400      0.4083000      0.1600000    
 C   -1.896500      -1.296100      0.8808000    
 C   0.7895000      -3.207000      -2.072600    
 C    3.467500      -2.575400     -0.7503000    
 C   -3.892400      0.8765000      0.1358000    
 C    3.287200       1.291200       1.244200    
 C    4.358500      0.4785000     -0.7628000    
 C   -2.876500       1.755800      0.4740000    
 C   -4.632500       1.041400      -1.023600    
 C    4.302100       2.234900       1.403800    
 C    5.373500       1.421900     -0.6031000    
 C    5.345200       2.300100      0.4803000    
 C   -2.593200       2.829400     -0.3702000    
 C   -4.349200       2.114900      -1.867900    
 C   -3.329400       3.008900      -1.541100    
 H   -3.611400      -1.862700     -0.3211000    
 H   -5.275200     -0.5046000       1.001200    
 H   -4.014000      2.3499999E-02   2.088800    
 H   -1.624100      -2.094700      -1.013100    
 H    1.199500      -2.977800      -3.061800    
 H  -0.2812000      -3.394400      -2.196500    
 H    1.247600      -4.134500      -1.714700    
 H    4.398400      -2.111200     -0.4162000    
 H    3.672100      -3.068900      -1.706300    
 H    3.213100      -3.345600     -1.2700000E-02
 H    2.509000       1.253900       1.999600    
 H    4.398300     -0.1602000      -1.640500    
 H   -4.744200      -2.836600       1.529700    
 H   -3.616100      -2.328900       2.584500    
 H   -2.303400       1.635700       1.388100    
 H   -5.426800      0.3492000      -1.287400    
 H    4.283700       2.914900       2.250500    
 H    6.181500       1.478800      -1.326700    
 H    6.135100       3.035100      0.6043000    
 H   -1.800600       3.526600     -0.1146000    
 H   -4.922000       2.254500      -2.779900    
 H   -3.109000       3.844900      -2.198400    


%chk=000173885-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173885

0 1
O 0.521568 1.307748 0.324386
O -1.585533 -3.007517 0.759438
N 2.392743 -1.637775 -0.424685
N 2.305368 -0.277099 0.015427
N -1.223372 -1.059717 -0.475698
N -4.206620 -3.084939 0.205008
C 1.070655 -2.093415 -0.615667
C 0.185919 -1.055738 -0.359282
C 0.930173 0.137749 0.047912
C -3.567667 -1.801324 -0.070454
C -4.092676 -0.618996 0.853715
C 3.445100 0.580445 -0.040198
C -2.044791 -2.016057 0.112208
C 0.784029 -3.500670 -1.041097
C 3.384550 -2.483858 0.286663
C -3.893114 0.768946 0.264312
C 3.494041 1.714113 0.811003
C 4.505143 0.321916 -0.948254
C -2.781732 1.578505 0.616614
C -4.810533 1.265514 -0.702111
C 4.607484 2.577836 0.749280
C 5.620654 1.185215 -0.983399
C 5.679199 2.315932 -0.136256
C -2.582997 2.841420 0.012263
C -4.624113 2.532746 -1.296989
C -3.506132 3.325433 -0.941995
H -3.754408 -1.488642 -1.119736
H -5.176577 -0.804421 0.983706
H -3.624705 -0.709880 1.851505
H -1.660259 -0.193272 -0.811604
H 1.632314 -3.943298 -1.590375
H -0.100889 -3.509062 -1.699950
H 0.525004 -4.133989 -0.173653
H 4.387961 -2.042226 0.191733
H 3.390422 -3.478909 -0.183543
H 3.131230 -2.586560 1.359625
H 2.660364 1.914926 1.487420
H 4.433034 -0.523945 -1.640015
H -5.197486 -3.049804 0.446041
H -3.632413 -3.709051 0.781084
H -2.049332 1.221421 1.348836
H -5.680290 0.656249 -0.981186
H 4.639229 3.456403 1.402929
H 6.436404 0.981884 -1.686097
H 6.543927 2.987141 -0.170694
H -1.698979 3.428038 0.281080
H -5.346607 2.901820 -2.034098
H -3.355088 4.305561 -1.408250


