%chk=000030744.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030744

0 1
 O  -0.6731000      0.1156000      0.4955000    
 O  -0.6027000      -1.030700      -1.533600    
 O   -6.897700     -0.6864000      0.5137000    
 O   -6.758500       1.220600     -0.5648000    
 N    5.566400     -0.5164000      0.1832000    
 N   -6.222400      0.2520000      2.6000001E-02
 N    7.553500      0.6794000      0.4598000    
 N    5.635700       1.893000      0.2208000    
 C    1.414300     -0.5249000     -0.3668000    
 C   -2.065200      0.1500000      0.3776000    
 C    2.264300     -0.5087000      -1.472600    
 C    1.947000     -0.5379000      0.9224000    
 C    4.179900     -0.5187000     -1.9999999E-04
 C    3.647000     -0.5057000      -1.289300    
 C    3.329800     -0.5348000       1.105700    
 C  -2.7300000E-02 -0.5283000     -0.5579000    
 C   -2.799600     -0.8829000      0.9165000    
 C   -2.648000       1.215100     -0.2721000    
 C   -4.808000      0.2168000      0.1466000    
 C   -4.189000     -0.8490000      0.7993000    
 C   -4.037600       1.249000     -0.3892000    
 C    6.191300      0.6330000      0.2793000    
 H    1.865700     -0.4956000      -2.483700    
 H    1.310200     -0.5640000       1.802700    
 H    4.301200     -0.4931000      -2.157200    
 H    3.735600     -0.5484000       2.114000    
 H   -2.317000      -1.711700       1.425000    
 H   -2.047800       2.018100     -0.6882000    
 H   -4.757100      -1.670200       1.228700    
 H   -4.485000       2.095100     -0.9044000    
 H    8.048800       1.561200      0.5347000    
 H    8.102800     -0.1710000      0.5219000    
 H    4.640700       2.038400      9.0700001E-02
 H    6.212300       2.723100      0.3059000    


%chk=000030744-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000030744

0 1
O -0.882629 0.095488 0.284450
O -0.293540 -1.388880 -1.462843
O -7.189103 -0.636044 -0.630651
O -7.139536 0.887751 1.067701
N 5.474316 0.520767 0.940660
N -6.555407 0.112010 0.212679
N 7.775458 0.719802 0.716676
N 6.464957 0.863252 -1.238583
C 1.436576 -0.295898 -0.142124
C -2.284321 0.017768 0.170750
C 2.496678 -0.929533 -0.850750
C 1.759033 0.597139 0.921503
C 4.170254 0.252792 0.525063
C 3.835004 -0.664370 -0.530253
C 3.094862 0.858876 1.250171
C 0.057145 -0.615786 -0.540953
C -3.006319 -0.794471 -0.744876
C -2.964005 0.854550 1.094734
C -5.079001 0.080269 0.200050
C -4.413419 -0.756000 -0.722073
C -4.365630 0.890658 1.114269
C 6.515802 0.679517 0.140433
H 2.241739 -1.636338 -1.647990
H 0.950107 1.075917 1.479241
H 4.635325 -1.200362 -1.053624
H 3.351732 1.534572 2.071523
H -2.475614 -1.432398 -1.450702
H -2.372445 1.463634 1.783745
H -5.002555 -1.366756 -1.411190
H -4.914553 1.525483 1.814049
H 8.628250 0.866664 0.185445
H 7.819472 0.604038 1.725765
H 5.556371 0.887406 -1.696479
H 7.285497 1.110486 -1.785815


