%chk=000018547.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018547

0 1
 O    3.142000       1.749500      0.2851000    
 O    4.364000     -0.3256000      0.1922000    
 O   -4.196900      0.5193000      -1.516700    
 O   -3.568900       1.797400      0.2539000    
 N   -1.914500     -0.6492000      0.6092000    
 C   -1.168700     -0.4738000     -0.6379000    
 C   0.3076000     -0.4710000     -0.4209000    
 C   -3.346600     -0.6363000      0.3577000    
 C    2.334100      0.6848000      2.8300000E-02
 C   0.9689000      0.7328000     -0.1657000    
 C    3.031900     -0.5000000     -2.4800001E-02
 C    1.020600      -1.681600     -0.4751000    
 C    2.403000      -1.702300     -0.2749000    
 C   -4.100000     -0.8434000       1.664600    
 C    4.426500       1.101800      0.3883000    
 C   -3.703000      0.6976000     -0.2632000    
 H   -1.422900      0.4671000      -1.140700    
 H   -1.425600      -1.272100      -1.347300    
 H   -3.620600      -1.449500     -0.3263000    
 H   -1.653300      -1.536100       1.040300    
 H   0.4341000       1.675400     -0.1188000    
 H   0.5015000      -2.616600     -0.6723000    
 H    2.956400      -2.633600     -0.3158000    
 H   -5.181700     -0.8055000       1.494000    
 H   -3.862300      -1.815800       2.109500    
 H   -3.860400     -6.4999998E-02   2.398400    
 H    4.841300       1.301600       1.383100    
 H    5.097200       1.530500     -0.3652000    
 H   -4.428900       1.372100      -1.942500    


%chk=000018547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018547

0 1
O 2.922343 1.597338 0.885152
O 4.460654 -0.129409 0.250753
O -5.048543 0.797297 -0.819884
O -2.915517 1.713374 -0.800034
N -1.902329 -0.657417 0.438944
C -1.108669 -0.983218 -0.762038
C 0.383091 -0.822148 -0.499170
C -3.346639 -0.509620 0.283221
C 2.223909 0.513862 0.285586
C 0.849298 0.388324 0.098083
C 3.132673 -0.502125 -0.088246
C 1.297070 -1.839379 -0.864234
C 2.700163 -1.697039 -0.663613
C -4.034520 -0.477022 1.671610
C 4.359662 1.294465 0.668781
C -3.681355 0.782345 -0.482073
H -1.415606 -0.275434 -1.556826
H -1.307170 -2.011637 -1.151006
H -3.817869 -1.333250 -0.309693
H -1.633318 -1.195201 1.268582
H 0.136839 1.163778 0.390555
H 0.918811 -2.762911 -1.317276
H 3.405055 -2.484658 -0.941312
H -5.120022 -0.324394 1.565212
H -3.866243 -1.436159 2.194878
H -3.611876 0.336998 2.286076
H 4.902312 1.428172 1.617063
H 4.746024 1.936679 -0.145967
H -5.253426 1.640890 -1.306623


