%chk=000049986.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049986

0 1
 O    3.070400      -1.209900      0.3502000    
 O   -3.313600     -0.7935000      0.2811000    
 O  -5.4099999E-02   2.776700     -0.7013000    
 N   8.8999998E-03  0.8132000      8.4399998E-02
 N   0.3649000       2.076500      0.2281000    
 C   0.9732000     -0.1054000      0.6711000    
 C   -1.339600      0.5190000      0.5999000    
 C    2.148300     -0.3224000     -0.2688000    
 C   -2.026500     -0.5290000     -0.2612000    
 C    4.186500      -1.471200     -0.4898000    
 C   -4.018600      -1.753900     -0.4936000    
 H   0.5315000      -1.095700      0.8498000    
 H    1.322600      0.2245000       1.660600    
 H   -1.979700       1.414100      0.5767000    
 H   -1.325600      0.2177000       1.657000    
 H    2.658600      0.6242000     -0.4835000    
 H    1.801700     -0.7571000      -1.214700    
 H   -1.449800      -1.460800     -0.2809000    
 H   -2.132000     -0.1619000      -1.289600    
 H    4.859300      -2.154900      3.4800000E-02
 H    4.729100     -0.5458000     -0.7065000    
 H    3.863200      -1.946200      -1.421100    
 H   -4.995900      -1.918000     -3.2000002E-02
 H   -3.477200      -2.704800     -0.5118000    
 H   -4.171500      -1.387200      -1.513300    


%chk=000049986-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049986

0 1
O 3.214896 -0.840712 0.329013
O -2.869507 -1.242894 0.126733
O -1.285800 2.750925 -0.139102
N 0.027746 1.073366 0.573752
N -0.075544 2.367106 0.082152
C 1.396795 0.614527 0.856101
C -1.167781 0.256927 0.876640
C 1.867494 -0.487464 -0.110852
C -1.809233 -0.369154 -0.377120
C 3.832942 -1.858897 -0.519891
C -3.692736 -1.795847 -0.948170
H 1.463415 0.233621 1.892095
H 2.060282 1.489997 0.763059
H -1.918712 0.906715 1.361665
H -0.874617 -0.543333 1.576867
H 1.874681 -0.106978 -1.156250
H 1.199874 -1.377730 -0.063502
H -1.063301 -0.959164 -0.955887
H -2.223621 0.426116 -1.030330
H 4.830198 -2.049194 -0.094244
H 3.939834 -1.503591 -1.566568
H 3.244635 -2.801147 -0.518197
H -4.454618 -2.423521 -0.460290
H -3.091127 -2.419625 -1.643484
H -4.192096 -0.991849 -1.528590


