%chk=000054216.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054216

0 1
 O    4.540200       2.002800     -0.3622000    
 O    3.643100      -1.303800     -0.3410000    
 O    4.651200     -0.2532000       1.455800    
 C    3.511600       1.026000     -0.1579000    
 C    3.944300       1.435000      -1.535800    
 C    2.247700       1.604600      0.3992000    
 C    1.016500      0.8202000     -5.4600000E-02
 C    4.003400     -0.2336000      0.4190000    
 C  -0.2651000       1.393600      0.5510000    
 C   -1.492300      0.5874000      0.1222000    
 C   -2.769800       1.142600      0.7561000    
 C   -3.990000      0.3772000      0.3122000    
 C    4.080300      -2.577000      0.1450000    
 C   -4.688900      0.7783000     -0.8264000    
 C   -4.420300     -0.7327000       1.039700    
 C    3.603800      -3.656700     -0.8031000    
 C   -5.818100      7.0000000E-02  -1.237500    
 C   -5.549400      -1.441000      0.6284000    
 C   -6.248200      -1.039700     -0.5101000    
 H    3.294200       2.070800      -2.123700    
 H    4.549400      0.7546000      -2.121700    
 H    2.304500       1.607000       1.495000    
 H    2.138100       2.653500      9.4099998E-02
 H   0.9498000      0.8363000      -1.149400    
 H    1.116000     -0.2316000      0.2396000    
 H  -0.1878000       1.387600       1.645100    
 H  -0.3838000       2.438700      0.2403000    
 H   -1.361900     -0.4636000      0.4099000    
 H   -1.577800      0.6068000     -0.9717000    
 H   -2.890300       2.202400      0.4970000    
 H   -2.693900       1.108900       1.850500    
 H    5.174500      -2.590000      0.2016000    
 H    3.662300      -2.749600       1.143000    
 H   -4.362400       1.640000      -1.402600    
 H   -3.883000      -1.056100       1.927200    
 H    3.999100      -3.487000      -1.810000    
 H    3.921000      -4.645700     -0.4608000    
 H    2.511900      -3.643600     -0.8840000    
 H   -6.362000      0.3820000      -2.124200    
 H   -5.884100      -2.305400       1.194300    
 H   -7.127200      -1.591400     -0.8303000    


%chk=000054216-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054216

0 1
O 4.487904 1.402112 -0.508696
O 4.495445 -1.515418 -0.493848
O 3.037867 -1.286943 1.308979
C 3.241705 0.540769 -0.310651
C 3.718066 0.890513 -1.692788
C 2.044463 1.247428 0.301228
C 0.695971 0.607207 -0.109794
C 3.556515 -0.827194 0.263319
C -0.513505 1.351764 0.497920
C -1.863754 0.696063 0.136150
C -3.080143 1.443783 0.750690
C -4.403816 0.763558 0.433270
C 4.944378 -2.833658 0.056669
C -5.170320 1.143952 -0.698665
C -4.880770 -0.301896 1.241029
C 5.968987 -3.393475 -0.923472
C -6.376574 0.479152 -1.017455
C -6.085803 -0.969785 0.928015
C -6.838842 -0.581794 -0.204797
H 3.158901 1.657904 -2.244337
H 4.245236 0.137591 -2.287386
H 2.137862 1.228691 1.402990
H 2.074482 2.306631 -0.017499
H 0.606598 0.599670 -1.215720
H 0.676920 -0.448439 0.223547
H -0.404735 1.381272 1.602136
H -0.510744 2.408169 0.155698
H -1.871167 -0.355185 0.487808
H -1.981496 0.656580 -0.965732
H -3.085610 2.485004 0.372382
H -2.936421 1.502326 1.847968
H 5.368966 -2.657479 1.061356
H 4.056620 -3.482584 0.165163
H -4.821172 1.970301 -1.330992
H -4.304657 -0.605459 2.124585
H 6.828205 -2.709458 -1.027403
H 6.341534 -4.367326 -0.556922
H 5.521316 -3.546950 -1.920316
H -6.956701 0.790537 -1.893930
H -6.439672 -1.787238 1.566868
H -7.775438 -1.096094 -0.448168


