%chk=000012972.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012972

0 1
 O   -3.286700       2.353200      0.4900000    
 O   -2.934800      -2.387300      0.6448000    
 O   -3.643300       1.233500      -1.450000    
 O   -3.443600      -1.445900      -1.353100    
 C    1.010200      0.1262000      0.8681000    
 C    2.177200      4.1400000E-02 -0.1217000    
 C  -0.3590000      5.9000002E-03  0.1983000    
 C    3.549600      9.4700001E-02  0.5535000    
 C   -1.547800      9.0800002E-02   1.168800    
 C    4.677600      1.8800000E-02 -0.4780000    
 C   -2.956400      2.4000001E-03  0.5505000    
 C    6.049300      3.3799998E-02  0.1962000    
 C    7.172200     -7.4800000E-02 -0.8231000    
 C   -3.316900       1.229300     -0.2720000    
 C   -3.147500      -1.322000     -0.1722000    
 H    1.066500       1.078200       1.409900    
 H    1.113400     -0.6704000       1.615300    
 H    2.094000      0.8637000     -0.8432000    
 H    2.094200     -0.8913000     -0.6934000    
 H  -0.4030000     -0.9462000     -0.3438000    
 H  -0.4564000      0.7990000     -0.5531000    
 H    3.639200       1.023000       1.130500    
 H    3.639600     -0.7374000       1.262100    
 H   -1.462100       1.029300       1.731500    
 H   -1.435000     -0.7091000       1.912500    
 H    4.599000      0.8635000      -1.173100    
 H    4.571100     -0.8982000      -1.070500    
 H   -3.696500     -1.3600000E-02   1.364100    
 H    6.126100     -0.8001000      0.9037000    
 H    6.171400      0.9593000      0.7708000    
 H    7.097500      -1.007500      -1.391400    
 H    8.143800     -6.0899999E-02 -0.3195000    
 H    7.143300      0.7614000      -1.528900    
 H   -3.540000       3.149800     -2.3300000E-02
 H   -3.050800      -3.239000      0.1721000    


%chk=000012972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012972

0 1
O -4.565606 1.415880 -0.411648
O -3.505270 -2.193156 0.632786
O -2.486581 2.410673 -0.138036
O -3.032328 -1.135432 -1.381135
C 1.065732 0.090375 0.913307
C 2.208665 -0.044126 -0.117798
C -0.337451 0.007132 0.271618
C 3.615815 0.062507 0.511910
C -1.458332 0.115439 1.328805
C 4.758853 -0.072794 -0.519300
C -2.910652 0.129411 0.761232
C 6.167191 0.040272 0.107989
C 7.302335 -0.091949 -0.930501
C -3.238366 1.429435 0.027118
C -3.158645 -1.076798 -0.142088
H 1.167424 1.058748 1.446292
H 1.171467 -0.703302 1.683203
H 2.093761 0.740964 -0.893695
H 2.115060 -1.016809 -0.644645
H -0.427593 -0.948181 -0.283347
H -0.450684 0.819373 -0.470285
H 3.709536 1.037078 1.035585
H 3.730496 -0.720687 1.290721
H -1.323894 1.050661 1.905014
H -1.383365 -0.726263 2.043401
H 4.643229 0.708307 -1.299754
H 4.668970 -1.048408 -1.041773
H -3.620703 0.049179 1.606003
H 6.282962 -0.741530 0.886465
H 6.255223 1.014473 0.631208
H 7.254088 -1.068889 -1.447878
H 8.298109 -0.008894 -0.457095
H 7.227233 0.698480 -1.701159
H -4.765203 2.255764 -0.906957
H -3.616078 -2.983432 0.036837


