%chk=000049323.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049323

0 1
 O   0.5972000      -1.896500      -1.838000    
 O  -0.5424000      0.6554000       1.935500    
 O    3.774900      0.5577000      0.3839000    
 N    2.163000     -0.5914000     -0.7855000    
 N    1.593800      0.6828000       1.099900    
 C  -0.2112000     -0.1949000     -0.3112000    
 C   -1.451100      -1.073800     -9.1200002E-02
 C  -0.5819000      0.9884000      -1.223100    
 C   0.8618000     -0.9996000      -1.037700    
 C   0.2398000      0.3930000       1.022200    
 C   -1.117600      -2.277800      0.7777000    
 C   -1.594400       1.898800     -0.5873000    
 C   -2.339400      -3.160700      0.9753000    
 C    2.590800      0.2519000      0.2329000    
 C   -1.072100       3.060200      0.2085000    
 C   -2.911100       1.706500     -0.7620000    
 H   -1.856000      -1.418700      -1.051800    
 H   -2.255100     -0.5308000      0.4165000    
 H  -0.9660000      0.6140000      -2.182900    
 H   0.3076000       1.576100      -1.489500    
 H  -0.7582000      -1.967500       1.764600    
 H  -0.3287000      -2.892100      0.3323000    
 H    2.890200      -1.014500      -1.355400    
 H    1.901200       1.199400       1.919300    
 H   -3.147800      -2.610100       1.467200    
 H   -2.712100      -3.536900      1.7100001E-02
 H   -2.087300      -4.022000       1.601900    
 H   -1.826900       3.441500      0.9050000    
 H  -0.1765000       2.841500      0.7886000    
 H  -0.8099000       3.874300     -0.4769000    
 H   -3.291500      0.8866000      -1.362000    
 H   -3.640600       2.375000     -0.3171000    


%chk=000049323-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049323

0 1
O 0.533064 -1.659496 -2.067946
O -0.335229 0.648490 2.076254
O 3.966913 0.305251 0.371602
N 2.206729 -0.631863 -0.850907
N 1.770657 0.570584 1.132977
C -0.189780 -0.172418 -0.243913
C -1.413004 -1.089662 0.025448
C -0.608047 1.077113 -1.167582
C 0.849328 -0.908322 -1.110604
C 0.375722 0.356229 1.080904
C -1.085006 -2.372789 0.822386
C -1.706338 1.994148 -0.639143
C -2.347188 -3.230640 1.056318
C 2.736396 0.104763 0.223396
C -1.285566 3.183345 0.206206
C -3.005027 1.781020 -0.985448
H -1.847884 -1.367782 -0.952813
H -2.162610 -0.492652 0.573333
H -0.931307 0.617006 -2.119059
H 0.305252 1.670037 -1.375624
H -0.644075 -2.101234 1.801489
H -0.333076 -2.974110 0.274341
H 2.895371 -1.038909 -1.492379
H 2.138997 1.021933 1.976926
H -3.112231 -2.662797 1.618023
H -2.795996 -3.545975 0.095823
H -2.110785 -4.142632 1.633796
H -2.150522 3.819398 0.459514
H -0.815343 2.863338 1.153162
H -0.547836 3.807724 -0.335682
H -3.303961 0.939931 -1.622103
H -3.805116 2.446770 -0.641892


