%chk=000017561.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017561

0 1
 O    2.214800       2.633600     -0.8032000    
 O   -2.204700       2.641100      0.8031000    
 N   0.6838000      0.9122000     -0.1921000    
 N  -0.6797000      0.9144000      0.1923000    
 C   5.5000000E-03   3.124800     -8.9999998E-04
 C    1.127100       2.221700     -0.4289000    
 C   -1.118700       2.225600      0.4284000    
 C    1.585600     -0.1692000      4.3900002E-02
 C   -1.584900     -0.1642000     -4.3400001E-02
 C    2.855600     -0.1570000     -0.5332000    
 C   -2.857400     -0.1504000      0.5328000    
 C    1.197300      -1.238000      0.8520000    
 C   -1.202300      -1.237300     -0.8517000    
 C    3.736900      -1.213100     -0.3024000    
 C   -3.742000      -1.203800      0.3024000    
 C    2.078700      -2.294100       1.082800    
 C   -2.087200      -2.290700      -1.082200    
 C    3.348500      -2.281600      0.5056000    
 C   -3.357100      -2.273900     -0.5052000    
 H   0.3258000       3.741200      0.8426000    
 H  -0.3129000       3.740900     -0.8453000    
 H    3.191400      0.6214000      -1.208100    
 H   -3.191100      0.6297000       1.206800    
 H   0.2581000      -1.260600       1.394000    
 H  -0.2628000      -1.263600      -1.393300    
 H    4.722000      -1.209400     -0.7599000    
 H   -4.727200      -1.196600      0.7596000    
 H    1.783900      -3.117600       1.726800    
 H   -1.794900      -3.115400      -1.725900    
 H    4.035400      -3.103100      0.6868000    
 H   -4.046600      -3.093200     -0.6862000    


%chk=000017561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017561

0 1
O 2.345407 2.614015 -0.646048
O -2.338075 2.621033 0.644506
N 0.696565 0.965256 -0.204095
N -0.694072 0.967346 0.202843
C 0.004524 3.216459 -0.000908
C 1.168531 2.296028 -0.349268
C -1.162154 2.299502 0.347719
C 1.536924 -0.169174 0.083662
C -1.537761 -0.164818 -0.084160
C 2.695607 -0.373514 -0.706305
C -2.696727 -0.365461 0.706354
C 1.228789 -1.047152 1.152497
C -1.232539 -1.044239 -1.152653
C 3.548787 -1.458806 -0.412084
C -3.553200 -1.448377 0.412951
C 2.083982 -2.135876 1.422710
C -2.091051 -2.130561 -1.422063
C 3.246821 -2.346723 0.646081
C -3.254240 -2.337627 -0.644942
H 0.284183 3.873451 0.840727
H -0.273241 3.873967 -0.842770
H 2.929163 0.317249 -1.519252
H -2.927925 0.326282 1.519129
H 0.336899 -0.881466 1.763041
H -0.340372 -0.881416 -1.763570
H 4.448167 -1.611498 -1.018140
H -4.452778 -1.598197 1.019424
H 1.842550 -2.816241 2.246429
H -1.851905 -2.812010 -2.245552
H 3.908321 -3.192282 0.862456
H -3.918282 -3.181348 -0.860720


