%chk=000044674.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044674

0 1
 O  -0.5911000       1.640200      0.3120000    
 N    1.137800      -1.526600     -0.6264000    
 C  -0.4218000      0.4026000     -0.3859000    
 C   0.8990000     -0.2658000      7.9000004E-02
 C   -1.703500     -0.4457000     -0.1757000    
 C    2.110700      0.6693000     -0.1338000    
 C   -1.924400     -0.8483000       1.285600    
 C   -2.940100      0.3098000     -0.6807000    
 C    3.433500      6.4599998E-02  0.3259000    
 H  -0.3402000      0.6541000      -1.451000    
 H   0.8384000     -0.4728000       1.153700    
 H   -1.613700      -1.364300     -0.7689000    
 H    2.194600      0.9499000      -1.191300    
 H    1.954500       1.598800      0.4267000    
 H   -2.018800      2.2800000E-02   1.941400    
 H   -1.108200      -1.473800       1.658100    
 H   -2.844900      -1.434700       1.384000    
 H   -3.830000     -0.3266000     -0.6229000    
 H   -2.812600      0.6070000      -1.726900    
 H   -3.136200       1.211200     -9.0700001E-02
 H    1.950900      -2.002800     -0.2415000    
 H    1.344500      -1.342600      -1.607200    
 H    3.365400     -0.2963000       1.357000    
 H    3.749100     -0.7629000     -0.3163000    
 H    4.221800      0.8237000      0.2863000    
 H  -0.4884000       1.469200       1.263100    


%chk=000044674-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044674

0 1
O -0.518849 1.704490 0.484218
N 1.033749 -1.521188 -0.754165
C -0.403857 0.445725 -0.290371
C 0.939817 -0.271523 0.042958
C -1.668707 -0.443257 -0.131065
C 2.145945 0.693669 -0.146072
C -1.946268 -0.829589 1.342762
C -2.896788 0.255706 -0.757997
C 3.483124 0.096432 0.339248
H -0.357341 0.807980 -1.337550
H 0.912073 -0.578628 1.110351
H -1.448774 -1.375153 -0.686072
H 2.218456 0.955099 -1.223378
H 1.931020 1.637530 0.388924
H -2.195276 0.056058 1.962747
H -1.090162 -1.355388 1.803169
H -2.817312 -1.507242 1.397866
H -3.807458 -0.361501 -0.643208
H -2.744531 0.437159 -1.838874
H -3.076565 1.234818 -0.276589
H 1.745684 -2.174154 -0.410211
H 1.158236 -1.340459 -1.758698
H 3.441404 -0.147275 1.418590
H 3.738757 -0.831548 -0.207813
H 4.315705 0.807643 0.189641
H -0.665781 1.464594 1.435187


