%chk=000040093.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040093

0 1
 O    3.465100     -0.7421000      0.2281000    
 O    2.789900       1.936600      0.5200000    
 N   -2.975200     -0.2150000     -0.2021000    
 C   -2.003500      0.8848000      4.4300001E-02
 C  -0.5391000      0.4413000      9.5600002E-02
 C   -2.574100      -1.469500      0.4456000    
 C   -1.258100      -1.958400     -0.1507000    
 C  -0.1879000     -0.9165000      3.9999999E-04
 C   -2.185100       1.940600      -1.063200    
 C   0.4842000       1.384600      0.2937000    
 C   -4.327000      0.1448000      0.2432000    
 C    1.160500      -1.300700      2.8000001E-02
 C    2.162200     -0.3476000      0.1947000    
 C    1.823600      0.9938000      0.3371000    
 C    4.164400     -0.7766000      -1.014700    
 H   -2.215900       1.340400       1.021700    
 H   -3.329500      -2.245800      0.2711000    
 H   -2.483300      -1.339400       1.532700    
 H   -1.380400      -2.192400      -1.215500    
 H  -0.9614000      -2.880700      0.3629000    
 H   -1.541800       2.812700     -0.9071000    
 H   -1.941100       1.526000      -2.048700    
 H   -3.208400       2.325400      -1.105000    
 H   0.2330000       2.435200      0.4204000    
 H   -4.707900       1.024500     -0.2829000    
 H   -4.365100      0.3433000       1.320400    
 H   -5.031200     -0.6654000      2.0700000E-02
 H    1.427400      -2.350800     -6.8599999E-02
 H    2.370800       2.810800      0.5970000    
 H    4.194400      0.2193000      -1.468000    
 H    3.692600      -1.487800      -1.700200    
 H    5.189700      -1.104200     -0.8220000    


%chk=000040093-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040093

0 1
O 3.425023 -1.080318 0.036412
O 2.893997 1.749646 0.316977
N -3.059429 -0.193566 -0.057800
C -2.029765 0.887458 -0.000049
C -0.592495 0.348351 0.003242
C -2.654467 -1.478979 0.556325
C -1.426798 -2.040111 -0.177811
C -0.292316 -1.033154 -0.115122
C -2.237832 1.857121 -1.196427
C 0.478415 1.266072 0.135583
C -4.375192 0.259979 0.430931
C 1.059460 -1.448897 -0.133347
C 2.129528 -0.537828 -0.022163
C 1.823514 0.844661 0.136110
C 4.472161 -0.452128 -0.796539
H -2.159117 1.478837 0.946144
H -3.507078 -2.177280 0.460956
H -2.424994 -1.379935 1.648782
H -1.712840 -2.245049 -1.228044
H -1.114228 -2.999255 0.276278
H -1.534315 2.707793 -1.150936
H -2.074614 1.313777 -2.142531
H -3.261706 2.270631 -1.204773
H 0.260502 2.336441 0.262433
H -4.710468 1.152445 -0.124485
H -4.375413 0.515477 1.521693
H -5.123822 -0.535356 0.266409
H 1.312945 -2.510975 -0.221733
H 2.545468 2.659613 0.486689
H 4.642569 0.594585 -0.497699
H 4.192021 -0.499490 -1.866990
H 5.373088 -1.059366 -0.619615


