%chk=000043466.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043466

0 1
 O   0.5778000      0.5872000      -1.503900    
 O   -3.996900      -2.096000      0.1992000    
 O   -4.520200      2.6699999E-02 -0.4152000    
 N    2.320200      -1.038600     -8.6400002E-02
 N    1.354200     -0.2514000      0.5186000    
 N  -0.1838000       2.736100      0.2938000    
 C  -0.4820000       1.324400      0.5393000    
 C   -1.918200      0.9921000      0.1145000    
 C    3.643500     -0.6762000      0.4029000    
 C   -2.266600     -0.4797000      0.3550000    
 C   0.5300000      0.5278000     -0.2757000    
 C    3.967700      0.7680000      3.1300001E-02
 C    4.678800      -1.636300     -0.1746000    
 C   -3.704400     -0.7839000      1.1000000E-03
 H  -0.3585000       1.124500       1.609300    
 H   -2.068100       1.224100     -0.9487000    
 H   -2.619400       1.627200      0.6718000    
 H    3.676000     -0.7734000       1.496200    
 H   -2.118400     -0.7277000       1.411900    
 H   -1.630400      -1.127000     -0.2579000    
 H    2.112000      -2.005000      0.1632000    
 H    1.266100     -0.2923000       1.529300    
 H  -0.8289000       3.315900      0.8298000    
 H  -0.3596000       2.961400     -0.6853000    
 H    4.993200       1.017000      0.3270000    
 H    3.887400      0.9332000      -1.049200    
 H    3.309000       1.482700      0.5361000    
 H    4.461400      -2.670900      0.1136000    
 H    5.680700      -1.393600      0.1958000    
 H    4.705200      -1.588200      -1.269200    
 H   -4.928300      -2.301300     -2.9999999E-02


%chk=000043466-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043466

0 1
O 0.576287 0.545285 -1.459741
O -4.132150 -2.110221 -0.050294
O -4.749251 0.126062 -0.113287
N 2.393993 -1.090677 0.050678
N 1.311538 -0.361769 0.586379
N -0.116056 2.691325 0.450065
C -0.531130 1.278876 0.597929
C -1.967890 0.976069 0.087442
C 3.749328 -0.596813 0.430165
C -2.381266 -0.493823 0.296496
C 0.503621 0.452527 -0.204064
C 3.980316 0.811646 -0.149093
C 4.774197 -1.617741 -0.101401
C -3.852864 -0.734753 0.022671
H -0.473675 1.016058 1.675538
H -2.011211 1.226470 -0.988752
H -2.683356 1.640309 0.608207
H 3.850244 -0.540862 1.545140
H -2.188707 -0.815010 1.341867
H -1.792235 -1.174480 -0.344776
H 2.267236 -2.103148 0.182000
H 1.232077 -0.254835 1.608951
H -0.738532 3.355744 0.922482
H 0.043780 2.941333 -0.533492
H 4.984119 1.179801 0.130985
H 3.896117 0.782596 -1.249117
H 3.232450 1.530538 0.230405
H 4.614708 -2.624298 0.332352
H 5.799178 -1.298991 0.155448
H 4.694630 -1.694473 -1.200211
H -5.105999 -2.235944 -0.217371


