%chk=000077268.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077268

0 1
 O  -0.5922000      -1.854300     -0.4558000    
 O   0.8989000      0.6362000      -2.137500    
 N    1.668500      0.7451000      6.7299999E-02
 C    3.083200      0.8402000     -0.2641000    
 C    1.350300      0.7561000       1.493400    
 C   0.6731000      0.6489000     -0.9210000    
 C  -0.7194000      0.5407000     -0.5084000    
 C   -1.306600     -0.7055000     -0.2893000    
 C    3.724700     -0.5289000     -0.3566000    
 C    1.127100       2.165600       2.001400    
 C   -1.468100       1.704700     -0.3340000    
 C   -2.642200     -0.7876000      0.1044000    
 C   -2.803800       1.622400      5.9700001E-02
 C   -3.390800      0.3764000      0.2788000    
 C  -0.4551000      -2.702200      0.6823000    
 C   0.8525000      -3.458000      0.5794000    
 H    3.178600       1.339500      -1.234900    
 H    3.595200       1.463900      0.4764000    
 H   0.4598000      0.1574000       1.696400    
 H    2.170500      0.2818000       2.044500    
 H    3.672000      -1.057300      0.6006000    
 H    3.224700      -1.149800      -1.107500    
 H    4.778800     -0.4376000     -0.6363000    
 H    2.027600       2.775700       1.873200    
 H   0.3137000       2.676300       1.483500    
 H   0.8860000       2.146900       3.069100    
 H   -1.026900       2.681800     -0.5134000    
 H   -3.116400      -1.751100      0.2703000    
 H   -3.387500       2.528700      0.1925000    
 H   -4.431600      0.3125000      0.5827000    
 H  -0.4661000      -2.122700       1.613400    
 H   -1.290900      -3.410000      0.6993000    
 H   0.9797000      -4.136700       1.427400    
 H   0.8913000      -4.038900     -0.3479000    
 H    1.697100      -2.762600      0.5551000    


%chk=000077268-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077268

0 1
O -0.216069 -1.601052 0.332629
O 0.980469 0.949537 -2.095946
N 1.742110 0.886157 0.100888
C 3.137519 1.048041 -0.373856
C 1.518581 0.838981 1.561885
C 0.736873 0.815448 -0.850288
C -0.696504 0.632681 -0.386754
C -1.184121 -0.600436 0.133411
C 3.830509 -0.308983 -0.622331
C 1.433519 2.243512 2.199941
C -1.619532 1.674777 -0.632582
C -2.561909 -0.768202 0.417861
C -2.993674 1.523335 -0.339420
C -3.459367 0.298091 0.184761
C -0.676053 -2.944751 0.737673
C 0.561077 -3.837848 0.782141
H 3.106622 1.623685 -1.314762
H 3.690969 1.638566 0.380010
H 0.597687 0.273146 1.767155
H 2.350482 0.265268 2.014114
H 3.854264 -0.925986 0.294949
H 3.290947 -0.868106 -1.405105
H 4.872015 -0.152601 -0.959402
H 2.343806 2.835775 1.994974
H 0.565180 2.796958 1.801097
H 1.318587 2.161767 3.296818
H -1.248364 2.604327 -1.077504
H -2.941402 -1.714893 0.812918
H -3.690555 2.345464 -0.531129
H -4.523684 0.162649 0.407516
H -1.166124 -2.886452 1.731709
H -1.415541 -3.315723 -0.000891
H 0.278080 -4.863490 1.081312
H 1.043572 -3.880606 -0.208821
H 1.295731 -3.451437 1.509428


