%chk=000051458.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051458

0 1
 O    4.566700      -1.515500     -5.0000002E-04
 O    5.536700       1.039600      3.0000001E-04
 C  -3.5000000E-02  0.1148000     -9.9999997E-05
 C  -0.4817000      -1.229400       0.000000    
 C   -1.037700       1.118200     -9.9999997E-05
 C   -1.855400      -1.528500       0.000000    
 C   -2.414800      0.8240000     -9.9999997E-05
 C    1.380400      0.3849000       0.000000    
 C   -2.828500     -0.5201000       0.000000    
 C    2.293200     -0.7021000       0.000000    
 C   0.4477000      -2.273200      9.9999997E-05
 C    1.814100      -2.013900      1.9999999E-04
 C  -0.7343000       2.588900     -3.0000001E-04
 C   -2.304600      -2.966800     -9.9999997E-05
 C    1.943400       1.686000     -1.9999999E-04
 C   -3.386300       1.840000     -9.9999997E-05
 C   -4.201500     -0.8207000      9.9999997E-05
 C    3.679900     -0.4731000      1.9999999E-04
 C    3.324600       1.900300       0.000000    
 C   -4.746200       1.528200      1.9999999E-04
 C   -5.153600      0.1984000      9.9999997E-05
 C    4.193100      0.8201000      1.9999999E-04
 H   0.1750000      -3.322800     -3.1900000E-02
 H    2.490800      -2.866000     -6.5000001E-03
 H  -0.2076000       2.845700      0.9259000    
 H  -0.2082000       2.845800     -0.9267000    
 H   -1.524500       3.330200      3.0000001E-04
 H   -3.285300      -3.138600      0.4462000    
 H   -2.307600      -3.362700      -1.020700    
 H   -1.672800      -3.597000      0.6334000    
 H    1.437200       2.628000     -6.0000003E-04
 H   -3.215900       2.905600     -7.9999998E-04
 H   -4.601700      -1.827200     -3.2600001E-02
 H    3.712900       2.915600     -1.9999999E-04
 H   -5.487900       2.322000     -1.5000000E-03
 H   -6.212000     -4.5400001E-02 -7.3000002E-03
 H    5.393800      -1.237600      0.4262000    
 H    5.992300      0.2638000     -0.3651000    


%chk=000051458-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051458

0 1
O 4.770535 -1.304798 -0.292797
O 5.611810 1.186991 0.292881
C -0.039800 0.175262 -0.041051
C -0.476490 -1.221069 -0.013398
C -1.027659 1.189317 -0.206386
C -1.851575 -1.577503 0.068644
C -2.418154 0.846545 -0.055406
C 1.408821 0.451411 0.076812
C -2.837293 -0.538202 0.128337
C 2.354893 -0.624802 -0.113801
C 0.528226 -2.262676 -0.130083
C 1.871918 -1.982811 -0.237760
C -0.694299 2.609236 -0.651582
C -2.243441 -3.049219 0.078195
C 1.939417 1.721215 0.461905
C -3.433727 1.869132 -0.056640
C -4.240667 -0.805380 0.320903
C 3.748949 -0.343531 -0.080765
C 3.320106 1.964272 0.550637
C -4.781472 1.570158 0.131162
C -5.190413 0.213564 0.324658
C 4.238576 0.937662 0.241896
H 0.204626 -3.306404 -0.144948
H 2.579228 -2.817104 -0.332643
H -0.700774 3.346265 0.176231
H 0.292752 2.656521 -1.135253
H -1.436815 2.951674 -1.393462
H -3.330645 -3.196275 0.130731
H -1.898127 -3.560150 -0.840294
H -1.798704 -3.584111 0.938467
H 1.263959 2.524092 0.755739
H -3.139036 2.915409 -0.173403
H -4.578768 -1.832320 0.482049
H 3.706892 2.939360 0.859464
H -5.527125 2.372761 0.143242
H -6.248813 -0.021560 0.481752
H 4.438845 -2.100473 -0.772489
H 6.092945 0.347037 0.066452


