%chk=000016646.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016646

0 1
 O    4.646600      0.8460000     -9.9999998E-03
 O    1.454000     -0.4711000      0.2910000    
 O   -4.027800     -0.1086000     -0.1554000    
 C    3.567000      0.1685000     -0.6366000    
 C    4.467000     -0.5401000      0.3077000    
 C    2.217200      0.6509000     -0.1499000    
 C   0.1004000     -0.3815000      0.1807000    
 C  -0.5261000      0.8614000      0.2721000    
 C  -0.6603000      -1.532600     -2.4000000E-02
 C   -2.674100     -0.1980000     -4.6100002E-02
 C   -1.913400      0.9532000      0.1587000    
 C   -2.047500      -1.440900     -0.1374000    
 C   -4.603100       1.192900     -5.0999999E-02
 H    3.617100     -6.0400002E-02  -1.690500    
 H    4.110600     -0.7820000       1.300500    
 H    5.185400      -1.241000     -9.7499996E-02
 H    1.741200       1.167100     -0.9930000    
 H    2.332800       1.352300      0.6853000    
 H   2.7000001E-02   1.777400      0.4581000    
 H  -0.1777000      -2.503500     -9.6199997E-02
 H   -2.336000       1.948400      0.2453000    
 H   -2.634700      -2.341100     -0.2966000    
 H   -4.428200       1.632100      0.9371000    
 H   -5.686200       1.077400     -0.1620000    
 H   -4.266700       1.847900     -0.8619000    


%chk=000016646-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016646

0 1
O 4.825390 0.948631 -0.081895
O 1.439276 -0.647072 -0.381151
O -4.157686 -0.107814 0.025645
C 3.740195 -0.015673 -0.500159
C 4.615411 -0.352422 0.664521
C 2.337714 0.512560 -0.295179
C 0.055310 -0.394828 -0.264276
C -0.514631 0.876591 -0.032967
C -0.781640 -1.533276 -0.393276
C -2.752811 -0.123237 -0.058003
C -1.921774 1.012627 0.070564
C -2.173905 -1.398852 -0.290225
C -4.798376 1.185524 0.263293
H 3.924422 -0.514029 -1.459937
H 4.218105 -0.239019 1.680836
H 5.418498 -1.087998 0.540491
H 2.083297 1.251624 -1.082899
H 2.255153 1.004770 0.695327
H 0.109768 1.768933 0.071638
H -0.320386 -2.509048 -0.573238
H -2.344608 2.005686 0.249708
H -2.834515 -2.265481 -0.387372
H -4.479914 1.622815 1.230398
H -5.877224 0.972875 0.291098
H -4.580567 1.900813 -0.554542


