%chk=000088217.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088217

0 1
 O   -3.654700      -1.555700       1.552800    
 O   0.6430000      0.1025000     -0.3233000    
 O   -4.473800       1.716200     -0.2662000    
 O   -3.059500       1.499200       1.495000    
 O  -0.8146000       1.127400      -1.772300    
 N   -1.561700     -0.2442000     -5.6299999E-02
 C   -2.977500     -0.1417000     -0.3063000    
 C   -3.755600      -1.383600      0.1400000    
 C   -3.275900      -2.657500     -0.5457000    
 C   -3.470200       1.100900      0.4127000    
 C  -0.5994000      0.3984000     -0.8096000    
 C    1.743600      0.7053000      -1.013500    
 C    3.024600      0.2809000     -0.3575000    
 C    3.551700       1.041600      0.6803000    
 C    3.673400     -0.8689000     -0.7934000    
 C    4.742800      0.6474000       1.289800    
 C    4.864400      -1.263200     -0.1839000    
 C    5.399300     -0.5050000      0.8577000    
 H   -3.110200      1.4200000E-02  -1.384200    
 H   -4.819500      -1.240200     -8.0899999E-02
 H   -1.244500     -0.7752000      0.7489000    
 H   -2.243400      -2.900000     -0.2727000    
 H   -3.342000      -2.570800      -1.634500    
 H   -3.886800      -3.509300     -0.2274000    
 H    1.645800       1.797700     -0.9831000    
 H    1.735300      0.3945000      -2.065700    
 H   -2.728300      -1.755900       1.767700    
 H    3.047700       1.939800       1.026200    
 H    3.264800      -1.468100      -1.602500    
 H    5.159000       1.237400       2.101200    
 H    5.375300      -2.160900     -0.5198000    
 H   -4.805600       2.507100      0.2098000    
 H    6.326500     -0.8121000       1.332400    


%chk=000088217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088217

0 1
O -4.270659 -1.625387 0.299197
O 0.664431 -1.670345 -0.140447
O -3.832301 1.476597 1.804340
O -2.446842 -0.101058 2.803022
O -0.257691 0.046897 -1.478064
N -1.376182 -0.829850 0.394160
C -2.494103 0.113738 0.340294
C -3.744621 -0.455112 -0.420978
C -3.442493 -0.777572 -1.890060
C -2.886777 0.457023 1.775031
C -0.320862 -0.736379 -0.492404
C 1.916040 -1.636582 -0.976910
C 2.946809 -0.688525 -0.404357
C 2.940994 0.683297 -0.768751
C 3.930970 -1.159542 0.501247
C 3.901736 1.567713 -0.230982
C 4.892899 -0.275761 1.039178
C 4.879869 1.090443 0.673264
H -2.172997 1.034022 -0.183086
H -4.550736 0.292625 -0.338500
H -1.234161 -1.343844 1.269719
H -2.654265 -1.547873 -1.974962
H -3.089344 0.115365 -2.434488
H -4.357525 -1.157990 -2.375474
H 1.624713 -1.353370 -2.002999
H 2.256795 -2.683246 -0.945094
H -3.619380 -2.367591 0.197969
H 2.174106 1.047072 -1.461904
H 3.940950 -2.218745 0.786866
H 3.890621 2.625193 -0.517714
H 5.650279 -0.649285 1.737352
H -4.113105 1.649494 2.743177
H 5.626832 1.776776 1.088057


