%chk=000031695.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031695

0 1
 O   -1.104400      -3.409800      0.9138000    
 O    1.294900      -2.775300      -2.188300    
 O   -2.295500      -1.674400       1.788800    
 O    2.376000      -2.240500     -0.2541000    
 C  -0.2907000      0.2024000       1.294100    
 C   0.2823000      7.9999998E-02  -1.278200    
 C  -9.3400002E-02  -1.285600      0.8595000    
 C   0.1614000      -1.361600     -0.6870000    
 C    1.020700      0.8934000      0.9323000    
 C   -1.372800      0.8020000      0.3958000    
 C    1.329400      0.8273000     -0.4519000    
 C   -1.064100      0.7366000     -0.9883000    
 C   -1.290300      -2.109000       1.246500    
 C    1.401100      -2.157700     -0.9864000    
 C    1.869300       1.542500       1.816900    
 C   -2.559100       1.376600      0.8289000    
 C    2.485100       1.413500     -0.9472000    
 C   -1.942300       1.243500      -1.934700    
 C    3.033100       2.128500       1.315000    
 C   -3.442000       1.884300     -0.1265000    
 C    3.337900       2.065000     -5.3800002E-02
 C   -3.136500       1.818300      -1.495000    
 H  -0.5338000      0.3080000       2.356700    
 H   0.5261000      8.0600001E-02  -2.345600    
 H   0.7454000      -1.696900       1.437900    
 H  -0.6810000      -1.879300      -1.169300    
 H    1.640400       1.597700       2.875900    
 H   -2.802400       1.433600       1.884600    
 H    2.728100       1.369500      -2.003600    
 H   -1.713300       1.197900      -2.994200    
 H    3.711800       2.641600       1.991200    
 H   -4.377000       2.337400      0.1921000    
 H    4.249200       2.529500     -0.4214000    
 H   -3.838700       2.220900      -2.220200    
 H   -1.875700      -3.964300       1.158600    
 H    2.096000      -3.299000      -2.403000    


%chk=000031695-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031695

0 1
O -1.586134 -3.206773 0.564605
O 1.648645 -2.346468 -2.294964
O -1.953312 -1.876218 2.425327
O 2.210775 -2.709750 -0.075372
C -0.279752 0.224751 1.293390
C 0.276442 0.058320 -1.264513
C -0.112691 -1.293079 0.886710
C 0.172185 -1.403054 -0.643717
C 1.034608 0.903726 0.918275
C -1.378452 0.799691 0.399908
C 1.338151 0.811388 -0.467148
C -1.074150 0.711639 -0.985659
C -1.302100 -2.102727 1.382328
C 1.433421 -2.209589 -0.916280
C 1.912150 1.568490 1.794273
C -2.594827 1.362934 0.826618
C 2.516748 1.384178 -0.979108
C -1.983593 1.189806 -1.947043
C 3.098227 2.150119 1.280365
C -3.509902 1.850641 -0.139917
C 3.399061 2.058607 -0.098424
C -3.205863 1.766065 -1.518703
H -0.518936 0.301162 2.365269
H 0.509979 -0.010133 -2.338492
H 0.769345 -1.698778 1.425648
H -0.653416 -1.921279 -1.160939
H 1.679792 1.638761 2.863221
H -2.833489 1.415903 1.894578
H 2.748129 1.313879 -2.048327
H -1.748245 1.120516 -3.015514
H 3.784948 2.674517 1.954135
H -4.458176 2.294928 0.182569
H 4.317272 2.513005 -0.487057
H -3.918359 2.147572 -2.258649
H -2.337182 -3.722702 0.966214
H 2.473899 -2.882846 -2.443706


