%chk=000098071.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098071

0 1
 O    1.618200       3.044800       1.117300    
 O    2.647200       1.959600     -0.6120000    
 C  -0.1128000      0.4442000     -0.5042000    
 C   0.2868000       1.889500     -0.4389000    
 C   0.1231000       1.215800      -1.769700    
 C   0.8791000     -0.6074000     -0.1427000    
 C   -1.522400      0.1052000     -0.1551000    
 C    1.638400       2.287800     -6.0000001E-03
 C    1.197500      -1.610400      -1.058300    
 C   -2.034800      0.4576000       1.093000    
 C    1.487600     -0.5901000       1.112500    
 C   -2.325800     -0.5659000      -1.076200    
 C    2.124100      -2.596200     -0.7189000    
 C   -3.352500      0.1382000       1.420400    
 C    2.414300      -1.575900       1.451800    
 C   -3.643600     -0.8851000     -0.7487000    
 C    2.732500      -2.578900      0.5360000    
 C   -4.156900     -0.5329000      0.4997000    
 H  -0.4859000       2.612700     -0.1868000    
 H  -0.7214000       1.527700      -2.376100    
 H    1.004800       1.011300      -2.367200    
 H   0.7300000      -1.641000      -2.038900    
 H   -1.419900      0.9786000       1.822100    
 H    1.240400      0.1717000       1.846900    
 H   -1.940400     -0.8511000      -2.051600    
 H    2.520800       3.305100       1.399800    
 H    2.371000      -3.377800      -1.431300    
 H   -3.752000      0.4116000       2.392600    
 H    2.885100      -1.565000       2.430400    
 H   -4.269800      -1.408700      -1.465200    
 H    3.453100      -3.347200      0.8008000    
 H   -5.182700     -0.7819000      0.7549000    


%chk=000098071-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000098071

0 1
O 1.713818 3.214657 0.970875
O 2.761635 1.944409 -0.671543
C -0.110204 0.459470 -0.579737
C 0.312658 1.971120 -0.498405
C 0.077141 1.278521 -1.850540
C 0.892260 -0.621944 -0.217233
C -1.532199 0.154205 -0.137476
C 1.702245 2.334161 -0.128283
C 1.567316 -1.371771 -1.210070
C -2.084413 0.707287 1.044281
C 1.123472 -0.931563 1.148340
C -2.312745 -0.753517 -0.898713
C 2.458348 -2.407517 -0.849283
C -3.392353 0.363890 1.456197
C 2.016092 -1.961412 1.511857
C -3.619080 -1.097590 -0.489746
C 2.686873 -2.705796 0.512723
C -4.163858 -0.540224 0.691411
H -0.451181 2.657466 -0.126439
H -0.813986 1.576732 -2.409803
H 0.978988 1.104840 -2.445411
H 1.401265 -1.142945 -2.268803
H -1.492428 1.411140 1.641586
H 0.597567 -0.366816 1.927219
H -1.889377 -1.191660 -1.810469
H 2.659509 3.435540 1.190745
H 2.975594 -2.977262 -1.629487
H -3.807433 0.800941 2.371419
H 2.187765 -2.186168 2.570669
H -4.211562 -1.798644 -1.088486
H 3.379401 -3.507314 0.793343
H -5.178030 -0.806337 1.009662


