%chk=000004678.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004678

0 1
 O   -1.136800      -1.805800       1.071600    
 O   -4.092700       1.131100      0.2290000    
 O   0.1796000      0.4635000       1.724600    
 O    5.141400     -0.9310000     -0.2099000    
 N    1.093600      0.4861000     -0.4079000    
 C   -2.180600     -0.2318000     -0.4755000    
 C  -0.8579000     -0.8940000      1.2300000E-02
 C   -2.884000      0.5266000      0.6768000    
 C   -3.126500      -1.342600     -0.9915000    
 C   -1.916200      0.7328000      -1.648800    
 C   0.1749000      9.3000002E-02  0.5520000    
 C    2.182000       1.394800     -0.1301000    
 C    3.443800      0.6724000      0.3230000    
 C    3.979500     -0.2950000     -0.7257000    
 H  -0.4084000      -1.480700     -0.7976000    
 H   -2.252500       1.318000       1.092600    
 H   -3.155400     -0.1490000       1.493400    
 H   -2.645600      -1.930700      -1.781500    
 H   -4.049200     -0.9252000      -1.410100    
 H   -3.413100      -2.031300     -0.1892000    
 H   -2.846900       1.075200      -2.114500    
 H   -1.326700      0.2428000      -2.432100    
 H   -1.367400       1.622000      -1.320700    
 H    1.012600      0.1239000      -1.353400    
 H    1.865400       2.103800      0.6425000    
 H    2.373700       1.961000      -1.047600    
 H   -1.425400      -1.300900       1.849800    
 H    4.220600       1.407600      0.5669000    
 H    3.248200      0.1244000       1.253600    
 H   -3.855500       1.909200     -0.3028000    
 H    3.251400      -1.070800     -0.9814000    
 H    4.257900      0.2351000      -1.641500    
 H    4.877200      -1.426800      0.5838000    


%chk=000004678-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004678

0 1
O -1.331511 -1.826784 1.188437
O -4.037805 1.390496 0.130012
O 0.287280 0.208519 1.781984
O 5.320475 -0.807430 -0.317528
N 1.017057 0.477197 -0.407143
C -2.239862 -0.251390 -0.519918
C -0.967560 -0.983541 0.053403
C -2.868535 0.628790 0.600408
C -3.254363 -1.341990 -0.948302
C -1.877958 0.620842 -1.749339
C 0.163293 -0.040088 0.535251
C 2.127404 1.384754 -0.041646
C 3.412099 0.641760 0.396228
C 4.058421 -0.179602 -0.733694
H -0.578776 -1.652358 -0.742370
H -2.108560 1.309935 1.037525
H -3.261607 -0.018364 1.400121
H -2.909419 -1.874406 -1.855339
H -4.230833 -0.874099 -1.165341
H -3.385440 -2.080712 -0.139724
H -2.801319 0.945883 -2.261399
H -1.297359 0.039926 -2.493291
H -1.295125 1.522033 -1.478924
H 0.879494 0.223634 -1.386424
H 1.776900 2.016952 0.792266
H 2.334674 2.038283 -0.909825
H -0.987942 -1.353840 2.001735
H 4.145671 1.388031 0.756608
H 3.163056 -0.011949 1.254781
H -3.727356 2.144800 -0.430524
H 3.345779 -0.944346 -1.113148
H 4.348228 0.475242 -1.574500
H 5.142498 -1.408477 0.449720


