%chk=000081173.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081173

0 1
 O    5.566500      -3.887500     -0.4940000    
 O   -7.842600       1.388800     -0.2066000    
 O   -7.968500     -0.6878000      0.4941000    
 N    4.367800     -0.4485000     -1.0800000E-02
 N   -1.175600      8.5400000E-02  0.5651000    
 N   -1.750900     -0.2393000     -0.5001000    
 N    6.889200       3.695000     -0.1755000    
 N   -7.303500      0.2928000      8.1000000E-02
 C    5.023500      -1.696300      0.3264000    
 C    5.167000      0.6635000     -0.4855000    
 C    2.971200     -0.3138000      0.1340000    
 C    4.889200      -2.681000     -0.8226000    
 C    5.449300       1.650600      0.6421000    
 C    2.350600      0.8953000     -0.1802000    
 C    2.210600      -1.389800      0.5917000    
 C   0.9695000       1.028600     -3.6699999E-02
 C   0.8294000      -1.256600      0.7351000    
 C   0.2090000     -4.7400001E-02  0.4209000    
 C    6.254100       2.792800      0.1840000    
 C   -3.142400     -0.1059000     -0.3546000    
 C   -3.756800       1.102200     -0.6686000    
 C   -3.895100      -1.183100      0.1028000    
 C   -5.897600      0.1581000     -6.5800004E-02
 C   -5.137800       1.234600     -0.5237000    
 C   -5.276100      -1.050900      0.2475000    
 H    4.678500      -2.118800       1.278000    
 H    6.093600      -1.523100      0.5060000    
 H    6.127700      0.2866000     -0.8645000    
 H    4.720000       1.150600      -1.361400    
 H    5.347300      -2.278700      -1.732500    
 H    3.851500      -2.927900      -1.062800    
 H    5.986400       1.136600       1.449300    
 H    4.525000       2.028100       1.091200    
 H    2.882300       1.767100     -0.5447000    
 H    2.631100      -2.353800      0.8555000    
 H   0.4942000       1.974400     -0.2841000    
 H   0.2445000      -2.099800       1.093700    
 H    5.139500      -4.255300      0.2985000    
 H   -3.172200       1.945500      -1.026700    
 H   -3.418400      -2.128400      0.3483000    
 H   -5.587600       2.191100     -0.7775000    
 H   -5.835800      -1.910700      0.6067000    


%chk=000081173-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081173

0 1
O 5.945003 -3.911652 -0.326071
O -8.035315 1.557785 -0.259835
O -8.369116 -0.621560 0.333277
N 4.437022 -0.434780 -0.060980
N -1.177593 0.424638 -0.161731
N -1.974762 -0.580390 0.143622
N 7.319456 3.559085 0.032205
N -7.599992 0.377815 0.043999
C 5.048288 -1.707315 0.376131
C 5.363319 0.642308 -0.440704
C 3.050695 -0.246352 -0.084275
C 5.171785 -2.747137 -0.768704
C 5.635894 1.623053 0.748716
C 2.472693 1.019495 -0.434323
C 2.151456 -1.320266 0.245262
C 1.083496 1.191737 -0.450278
C 0.767780 -1.138470 0.233948
C 0.202241 0.126150 -0.115291
C 6.564410 2.698845 0.369727
C -3.363811 -0.251701 0.093569
C -3.890881 1.034485 -0.233126
C -4.250614 -1.320701 0.402993
C -6.138424 0.158953 0.061498
C -5.277211 1.240845 -0.249357
C -5.641246 -1.123641 0.388663
H 4.480740 -2.134769 1.224057
H 6.066520 -1.503544 0.753432
H 6.319283 0.191722 -0.757872
H 4.975233 1.204003 -1.307652
H 5.752584 -2.321733 -1.603819
H 4.171590 -3.033501 -1.152289
H 6.061174 1.060774 1.601075
H 4.684352 2.066500 1.095389
H 3.104817 1.872311 -0.695462
H 2.545130 -2.307127 0.503650
H 0.644033 2.158268 -0.717902
H 0.090095 -1.960454 0.484219
H 5.385034 -4.492527 0.247352
H -3.192620 1.842651 -0.467156
H -3.817978 -2.294906 0.650182
H -5.713871 2.212596 -0.494730
H -6.343088 -1.928193 0.621587


