%chk=000128180.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128180

0 1
 O  -0.5872000     -3.8899999E-02  -2.377600    
 O    1.095000      -1.931700       1.534400    
 O    3.972700       1.750000      0.7744000    
 N    1.253800      0.8091000      -1.299900    
 N    2.023600      4.9999999E-03  0.7743000    
 N    3.139600       1.749900     -0.3092000    
 C  -0.2043000     -0.6978000     -7.3399998E-02
 C   -1.162600      0.1924000      0.7321000    
 C   -2.451500      0.5115000     -4.2700000E-02
 C  -0.8946000      -2.030800     -0.4003000    
 C   0.1223000      2.0300001E-02  -1.375500    
 C   -1.504700     -0.4936000       2.054500    
 C    1.031700     -0.9502000      0.7953000    
 C   -3.397700       1.454100      0.7046000    
 C   4.7899999E-02  -2.968800      -1.122400    
 C    2.133700      0.8227000     -0.2312000    
 C   -4.617700       1.796900     -0.1374000    
 H  -0.6654000       1.143400      0.9695000    
 H   -3.012300     -0.4005000     -0.2733000    
 H   -2.217700      0.9979000     -0.9940000    
 H   -1.768700      -1.896700      -1.046300    
 H   -1.238000      -2.559000      0.4945000    
 H   -2.041400      0.2053000       2.706800    
 H  -0.6357000     -0.7853000       2.646600    
 H   -2.162000      -1.359800       1.935400    
 H   -2.871900       2.377800      0.9719000    
 H   -3.751600      0.9952000       1.633200    
 H   0.4273000      -2.542900      -2.056200    
 H   0.9048000      -3.273800     -0.5165000    
 H  -0.4875000      -3.887500      -1.388700    
 H    1.466700       1.404500      -2.094900    
 H   -4.326200       2.298400      -1.065800    
 H   -5.182600      0.8956000     -0.3958000    
 H   -5.282900       2.467800      0.4153000    
 H    3.267700       2.440300      -1.038700    
 H    4.849500       1.753300      0.3543000    


%chk=000128180-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128180

0 1
O -0.543978 -0.066615 -2.507011
O 1.266579 -2.004370 1.432800
O 3.926227 1.765317 0.932110
N 1.178882 0.954661 -1.359136
N 2.075469 0.048104 0.702407
N 3.019826 1.918755 -0.167737
C -0.167441 -0.775511 -0.151714
C -1.137845 0.174622 0.729154
C -2.527668 0.371052 0.058899
C -0.836727 -2.133399 -0.491302
C 0.115604 0.012716 -1.439288
C -1.287669 -0.341806 2.180597
C 1.124219 -0.987965 0.705423
C -3.241581 1.665598 0.519303
C 0.046402 -3.083475 -1.329089
C 2.058297 0.957561 -0.278829
C -4.639149 1.820046 -0.118588
H -0.642113 1.168664 0.776319
H -3.172630 -0.499193 0.294031
H -2.430540 0.401804 -1.043404
H -1.772942 -1.932398 -1.039678
H -1.095004 -2.629085 0.460523
H -2.009917 0.294528 2.722709
H -0.335959 -0.320988 2.736668
H -1.667349 -1.378249 2.203170
H -2.614213 2.541100 0.252541
H -3.340193 1.676881 1.622921
H 0.304395 -2.637523 -2.306537
H 0.974689 -3.342437 -0.791671
H -0.497048 -4.024553 -1.529544
H 1.324547 1.542541 -2.185711
H -4.571127 1.837658 -1.222493
H -5.297630 0.976811 0.162558
H -5.130027 2.755461 0.206716
H 3.300340 2.642468 -0.824653
H 3.515374 0.905322 1.344837


