%chk=000060608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060608

0 1
 O   -4.347900       2.169100     -5.6800000E-02
 O   0.7299000      -2.068500      0.9077000    
 O   -4.693400      0.2510000       1.107200    
 N  -0.1515000     -0.8983000     -0.8909000    
 N    3.466600       1.160800      -1.139000    
 C   -2.507300      -1.080500     -0.1670000    
 C   -1.368200      -1.655000      -1.008000    
 C   -2.919400      0.3405000     -0.5606000    
 C   0.8124000      -1.171700      7.2600000E-02
 C    2.001400     -0.2811000      7.8900002E-02
 C   -4.076600      0.8744000      0.2546000    
 C    2.701400     -8.3300002E-02   1.244300    
 C    2.395000      0.3389000      -1.076200    
 C    3.809900      0.7557000       1.219600    
 C    4.148000       1.348200      1.3600000E-02
 H   -2.220800      -1.089300      0.8925000    
 H   -3.376100      -1.744600     -0.2573000    
 H   -1.646300      -1.662100      -2.067300    
 H   -1.176800      -2.690500     -0.7056000    
 H   -3.215900      0.3580000      -1.615300    
 H   -2.073200       1.022200     -0.4202000    
 H  -5.1700000E-02 -0.1009000      -1.509700    
 H    2.413000     -0.5562000       2.178000    
 H    1.905300      0.1995000      -2.032900    
 H    4.390300      0.9410000       2.116100    
 H    5.003700       2.011400     -5.8699999E-02
 H   -5.090700       2.525000      0.4762000    


%chk=000060608-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060608

0 1
O -4.481840 2.165875 -0.118057
O 0.613137 -1.936163 1.015787
O -4.955677 0.169679 0.969531
N -0.162904 -0.852425 -0.888110
N 3.600479 1.253554 -1.132463
C -2.556864 -1.082717 -0.097934
C -1.401077 -1.653015 -0.951945
C -3.003469 0.318037 -0.555312
C 0.781500 -1.065884 0.103007
C 2.024629 -0.212051 0.052165
C -4.226695 0.818838 0.189682
C 2.822242 -0.133627 1.222067
C 2.471290 0.487695 -1.099831
C 3.992429 0.650901 1.206467
C 4.336988 1.333471 0.015485
H -2.242238 -1.055979 0.960241
H -3.413536 -1.780021 -0.152226
H -1.705289 -1.731309 -2.013280
H -1.153458 -2.664015 -0.585500
H -3.255847 0.321589 -1.635966
H -2.197423 1.064581 -0.426884
H -0.031251 -0.092879 -1.556399
H 2.505899 -0.695356 2.106833
H 1.936516 0.422477 -2.056645
H 4.628728 0.736449 2.092550
H 5.232830 1.962336 -0.036316
H -5.298000 2.463660 0.368854


