%chk=000023875.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023875

0 1
 O   0.3588000       2.489100       1.082100    
 O  -0.8081000      -1.914300       1.501500    
 O    2.802500     -0.7503000      -1.194900    
 N    1.560800      0.9184000     -0.1588000    
 N   0.9597000      -1.381300      7.1400002E-02
 C   -1.619600      0.4958000     -0.3655000    
 C  -0.6197000      0.3429000      0.7783000    
 C   -2.730400     -0.5623000     -0.2360000    
 C   0.4786000       1.357300      0.6105000    
 C  -0.1667000      -1.090400      0.8477000    
 C   -2.174800       1.921500     -0.3825000    
 C    1.836500     -0.4269000     -0.4947000    
 C   -3.742200     -0.5279000      -1.372600    
 C    2.544700       1.911800     -0.5761000    
 C    1.319900      -2.783600     -0.1102000    
 H   -1.111700      0.3296000      -1.325800    
 H   -1.100700      0.5607000       1.742600    
 H   -3.256400     -0.4540000      0.7200000    
 H   -2.312600      -1.572400     -0.2708000    
 H   -2.619900       2.189600      0.5817000    
 H   -2.946700       2.040800      -1.148600    
 H   -1.407500       2.660500     -0.6308000    
 H   -4.408200      -1.394900      -1.306900    
 H   -3.244700     -0.5583000      -2.347000    
 H   -4.371200      0.3655000      -1.327900    
 H    3.452900       1.766600      1.7300000E-02
 H    2.179800       2.932600     -0.4367000    
 H    2.792400       1.760700      -1.631500    
 H    1.520500      -2.972600      -1.169600    
 H   0.5303000      -3.458000      0.2304000    
 H    2.235800      -2.980900      0.4559000    


%chk=000023875-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023875

0 1
O 0.371070 2.396343 1.325142
O -0.684405 -2.167807 1.349333
O 2.820694 -0.586649 -1.298885
N 1.559868 0.955690 -0.079251
N 1.028448 -1.402620 -0.042186
C -1.691018 0.427838 -0.355501
C -0.633027 0.224454 0.826014
C -2.976313 -0.391954 -0.048704
C 0.460698 1.278095 0.753818
C -0.108372 -1.203079 0.778449
C -2.017038 1.923502 -0.571377
C 1.842923 -0.354010 -0.540427
C -3.876726 -0.600308 -1.286807
C 2.554149 2.002104 -0.418785
C 1.472101 -2.782711 -0.354463
H -1.229957 0.027804 -1.283569
H -1.171655 0.366727 1.777820
H -3.544991 0.135115 0.744457
H -2.704563 -1.379212 0.367107
H -2.341981 2.399083 0.371408
H -2.833034 2.021912 -1.308326
H -1.152963 2.495004 -0.951585
H -4.762892 -1.205410 -1.023042
H -3.331960 -1.136007 -2.087288
H -4.241168 0.354724 -1.706631
H 3.543502 1.739524 -0.010186
H 2.202641 2.944733 0.024900
H 2.641470 2.092121 -1.513102
H 1.508764 -2.924761 -1.446155
H 0.748736 -3.471323 0.105172
H 2.479100 -2.963623 0.055148


