%chk=000100820.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100820

0 1
 O    3.426800      -1.206000      -2.044500    
 O    2.322900     -0.7244000       1.940200    
 O   -4.872500      0.5527000      9.5399998E-02
 O  -0.6588000      -1.454000      0.5054000    
 N    2.956600      0.1426000     -0.1826000    
 N   -2.674600     -0.1914000      0.4439000    
 C   0.4312000       1.771000     -0.3066000    
 C  -0.9836000       2.013500     -0.8381000    
 C    1.431800       1.603000      -1.455300    
 C   -2.030400       2.182400      0.2692000    
 C    2.851800       1.346500     -0.9603000    
 C   -2.217900      0.9630000       1.167200    
 C    3.251500      -1.099800     -0.8270000    
 C    2.766500      0.1842000       1.235300    
 C   -3.918900     -0.1464000     -0.2600000    
 C   -1.887000      -1.386600      0.4263000    
 C    3.342500      -2.338000      2.9899999E-02
 C    3.207000       1.467700       1.905200    
 C   -4.067900      -1.004900      -1.491500    
 C   -2.677000      -2.675200      0.3480000    
 H   0.4288000      0.8781000      0.3186000    
 H   0.7266000       2.619500      0.3201000    
 H   -1.276400       1.192100      -1.502900    
 H  -0.9825000       2.923300      -1.451500    
 H    1.429100       2.504600      -2.079500    
 H    1.111000      0.7706000      -2.094200    
 H   -1.745100       3.035300      0.8976000    
 H   -2.983100       2.456700     -0.1992000    
 H    3.199500       2.222300     -0.4075000    
 H    3.508800       1.259400      -1.833900    
 H   -1.302500      0.7303000       1.720500    
 H   -2.985100       1.202600       1.913500    
 H    4.036800      -2.188800      0.8605000    
 H    3.731100      -3.163300     -0.5760000    
 H    2.350400      -2.624000      0.3876000    
 H    3.322500       1.287800       2.979000    
 H    4.178200       1.791000       1.520700    
 H    2.460100       2.251400       1.770800    
 H   -3.102800      -1.256500      -1.936700    
 H   -4.615800     -0.4258000      -2.243200    
 H   -4.650900      -1.901100      -1.270300    
 H   -2.198100      -3.402200       1.014000    
 H   -3.702700      -2.562400      0.7060000    
 H   -2.646500      -3.085700     -0.6633000    


%chk=000100820-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100820

0 1
O 2.920602 -1.130477 -1.936216
O 3.311766 -0.761325 2.192225
O -4.816307 0.716749 0.230715
O -0.565923 -1.123378 0.604445
N 3.052812 0.118558 0.018701
N -2.706751 -0.248639 0.338344
C 0.530384 1.886209 -0.332079
C -0.891550 1.982180 -0.930863
C 1.599048 1.628746 -1.416981
C -2.009513 2.193753 0.116347
C 3.016985 1.318944 -0.877660
C -2.263153 0.995432 1.061641
C 2.916459 -1.141450 -0.672212
C 3.226990 0.239856 1.426991
C -4.048897 -0.205965 -0.161661
C -1.771700 -1.325317 0.277638
C 2.729665 -2.422728 0.109701
C 3.342221 1.650701 2.005326
C -4.516218 -1.185522 -1.231722
C -2.228602 -2.734409 -0.080614
H 0.552166 1.055843 0.397445
H 0.757346 2.825875 0.215965
H -1.097703 1.059511 -1.511473
H -0.926570 2.818067 -1.659012
H 1.682790 2.511168 -2.083957
H 1.282270 0.782096 -2.053269
H -1.752178 3.060587 0.758981
H -2.959333 2.453411 -0.387204
H 3.423472 2.180595 -0.327912
H 3.683576 1.108248 -1.731468
H -1.352679 0.726514 1.617231
H -3.065979 1.256417 1.770842
H 3.590485 -2.635825 0.762746
H 2.587172 -3.232346 -0.623263
H 1.849298 -2.342156 0.770708
H 3.372198 1.545795 3.099827
H 4.273303 2.148449 1.676815
H 2.491696 2.293560 1.723941
H -3.759959 -1.340061 -2.018886
H -5.423193 -0.751994 -1.679385
H -4.786285 -2.167769 -0.808875
H -1.419985 -3.413759 0.227604
H -3.159342 -3.018994 0.437206
H -2.379486 -2.860051 -1.165873


