%chk=000021888.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021888

0 1
 O    3.478300      0.1256000     -0.1886000    
 O    2.013000       2.401500      0.3976000    
 O    2.216300      -2.339100     -0.2518000    
 N   -5.471700     -0.3654000      0.7773000    
 N   -2.562000      0.3023000      -2.542900    
 C    2.142300      3.3100002E-02  6.7699999E-02
 C  -0.5913000     -0.1558000      0.5914000    
 C    1.407600       1.181600      0.3623000    
 C    1.510200      -1.209800      3.4899998E-02
 C   4.0700000E-02   1.087200      0.6243000    
 C   0.1433000      -1.304300      0.2968000    
 C   -2.016400     -0.2544000      0.8647000    
 C    3.864100      0.3277000      -1.546100    
 C    1.190200       3.524700      0.7066000    
 C    2.800200      -3.034900      0.8479000    
 C   -3.024100     -0.1501000     -3.6899999E-02
 C   -4.373800     -0.2687000      0.4134000    
 C   -2.766900      9.8800004E-02  -1.418700    
 H  -0.5796000       1.946200      0.8600000    
 H  -0.3420000      -2.277700      0.2687000    
 H   -2.251600     -0.4369000       1.912800    
 H    3.452900       1.267500      -1.928000    
 H    3.531700     -0.5082000      -2.169700    
 H    4.955400      0.3816000      -1.587500    
 H    1.834900       4.409700      0.6904000    
 H   0.4180000       3.681400     -5.4299999E-02
 H   0.7737000       3.454700       1.717300    
 H    2.024300      -3.380500       1.538400    
 H    3.513900      -2.393700       1.374600    
 H    3.334300      -3.905600      0.4576000    


%chk=000021888-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021888

0 1
O 3.449202 -0.349055 -0.161005
O 1.953703 2.071507 -0.173336
O 2.117188 -2.800068 0.210819
N -5.750217 -0.582170 0.604285
N -2.969402 2.856871 0.027939
C 2.066401 -0.325379 -0.021728
C -0.783677 -0.478586 0.250786
C 1.257645 0.862789 -0.041608
C 1.424045 -1.582229 0.207966
C -0.140294 0.783474 0.075429
C 0.024785 -1.648171 0.332333
C -2.219864 -0.663963 0.371089
C 4.123744 0.551445 -1.127276
C 1.164615 3.314103 -0.184962
C 3.241440 -2.952429 1.162857
C -3.264560 0.257094 0.339769
C -4.622218 -0.199671 0.483854
C -3.100037 1.674550 0.169689
H -0.731393 1.698346 0.046463
H -0.425309 -2.635905 0.475019
H -2.537261 -1.706760 0.508276
H 4.144724 1.583303 -0.748542
H 3.609507 0.517629 -2.104137
H 5.139137 0.137057 -1.217765
H 1.906972 4.118262 -0.288765
H 0.462202 3.335656 -1.038818
H 0.605531 3.437261 0.760964
H 2.877158 -2.839708 2.201983
H 4.036274 -2.218663 0.955389
H 3.605862 -3.978091 1.003237


