%chk=000030810.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030810

0 1
 O    2.590000       1.397100       1.013800    
 O  -0.6141000       2.690100      0.1841000    
 N   -3.172100     -0.5011000     -0.1819000    
 N   0.2383000      0.5810000     -0.3335000    
 C   -1.009200      7.1999997E-02 -0.8338000    
 C   -1.966300       1.178800      -1.282600    
 C   -1.782000     -0.7076000      0.2254000    
 C   -3.258300      0.9208000     -0.5161000    
 C   -4.117500     -0.8852000      0.8561000    
 C    1.377700     -0.2710000     -0.2676000    
 C   0.3253000       1.898100      0.1112000    
 C    2.521300      0.1737000      0.4059000    
 C   -4.037900      -2.367300       1.158100    
 C    1.738500       2.351100      0.4177000    
 C    1.384500      -1.563000     -0.8139000    
 C    3.638600     -0.6537000      0.5496000    
 C    2.509100      -2.383500     -0.6876000    
 C    3.634200      -1.930400     -4.6999999E-03
 H  -0.8286000     -0.5421000      -1.723800    
 H   -2.209500      0.9153000      -2.327900    
 H   -1.695500       2.221000      -1.428800    
 H   -1.497300      -1.764500      0.2127000    
 H   -1.589700     -0.3089000       1.230800    
 H   -3.281100       1.548800      0.3833000    
 H   -4.141600       1.143000      -1.123400    
 H   -3.961100     -0.3146000       1.780400    
 H   -5.135000     -0.6636000      0.5114000    
 H   -4.143600      -2.967900      0.2481000    
 H   -3.097300      -2.640100       1.646700    
 H   -4.848700      -2.652200       1.837300    
 H    2.194400       2.716400     -0.5111000    
 H    1.674900       3.200900       1.106300    
 H   0.5355000      -1.983900      -1.341400    
 H    4.515100     -0.3066000       1.090200    
 H    2.501200      -3.381800      -1.116100    
 H    4.503400      -2.572800      9.9799998E-02


%chk=000030810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030810

0 1
O 2.547682 1.071541 1.425428
O -0.797601 2.251986 0.705136
N -3.271738 -0.566519 -0.083939
N 0.304067 0.351232 -0.127195
C -0.976802 -0.274620 -0.575839
C -1.812878 0.577090 -1.592954
C -1.953292 -0.587698 0.596630
C -3.227564 0.634793 -0.968276
C -4.447047 -0.606597 0.812717
C 1.565552 -0.303646 -0.357097
C 0.265506 1.585954 0.523237
C 2.678027 0.050555 0.460675
C -4.563375 -1.932984 1.585446
C 1.618924 2.131011 0.984389
C 1.753350 -1.311692 -1.335081
C 3.909064 -0.621200 0.360052
C 2.991838 -1.981617 -1.448250
C 4.066823 -1.652030 -0.592074
H -0.709283 -1.232407 -1.040905
H -1.829800 0.075861 -2.576085
H -1.389221 1.585133 -1.720843
H -1.747559 -1.575382 1.043106
H -1.874409 0.190835 1.389681
H -3.340425 1.578997 -0.384213
H -4.035931 0.583137 -1.719246
H -4.431396 0.250077 1.536276
H -5.346890 -0.475509 0.180949
H -4.566225 -2.785389 0.883165
H -3.725927 -2.070406 2.293185
H -5.501060 -1.956036 2.170124
H 2.087245 2.719935 0.167529
H 1.453408 2.779321 1.856046
H 0.944164 -1.579991 -2.020193
H 4.722744 -0.320618 1.026922
H 3.112128 -2.759353 -2.209312
H 5.023501 -2.177464 -0.674492


