%chk=000007776.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007776

0 1
 O    6.159400     -0.3305000      0.1434000    
 O   -6.159100     -0.3139000     -0.1649000    
 O    5.062000       1.698800      5.4900002E-02
 O   -5.084100       1.723700     -4.1200001E-02
 C   1.1300000E-02  0.5144000     -2.4100000E-02
 C    1.264500     -0.3643000      5.1000002E-03
 C   -1.260900     -0.3359000     -4.1299999E-02
 C    2.537300      0.4859000      5.4299999E-02
 C   -2.546600      0.4951000     -4.0100001E-02
 C    3.805800     -0.3621000      5.3599998E-02
 C   -3.816400     -0.3508000     -0.1307000    
 C    8.559100     -0.6719000      0.2415000    
 C   -8.557300     -0.6782000     -0.2098000    
 C    5.060600      0.4748000      8.3400004E-02
 C   -5.064900      0.5024000     -0.1085000    
 C    7.419000      0.3479000      0.1749000    
 C   -7.426100      0.3514000     -0.1413000    
 C    9.905600      4.0600002E-02  0.3489000    
 C    8.545700      -1.603000     -0.9727000    
 C   -9.913300      2.2500001E-02 -0.2586000    
 C   -8.501600      -1.647000      0.9733000    
 H   3.2800000E-02   1.161100     -0.9094000    
 H  -9.9999997E-05   1.169200      0.8556000    
 H    1.233400      -1.024900      0.8799000    
 H    1.284700      -1.005100     -0.8847000    
 H   -1.266600      -1.001600      0.8308000    
 H   -1.250500     -0.9789000     -0.9303000    
 H    2.520100       1.118700      0.9507000    
 H    2.552700       1.166100     -0.8069000    
 H   -2.577900       1.106600      0.8706000    
 H   -2.521200       1.198200     -0.8825000    
 H    3.834900     -0.9834000     -0.8486000    
 H    3.809800      -1.014700      0.9339000    
 H   -3.810500     -0.9273000      -1.062200    
 H   -3.858000      -1.042100      0.7184000    
 H    8.417300      -1.295100       1.133600    
 H   -8.433200      -1.271300      -1.124700    
 H    7.450100      0.9967000       1.058700    
 H    7.516600      0.9694000     -0.7239000    
 H   -7.487500       1.027200      -1.003000    
 H   -7.505500      0.9432000      0.7791000    
 H    9.937300      0.6801000       1.237400    
 H    10.72350     -0.6831000      0.4296000    
 H    10.09480      0.6690000     -0.5281000    
 H    9.368000      -2.324400     -0.9168000    
 H    7.611600      -2.171600      -1.025800    
 H    8.653200      -1.039400      -1.905800    
 H   -9.975400      0.6892000      -1.125200    
 H   -10.72570     -0.7073000     -0.3405000    
 H   -10.08520      0.6209000      0.6426000    
 H   -9.317600      -2.375300      0.9163000    
 H   -7.560600      -2.206600      0.9834000    
 H   -8.589700      -1.114400       1.926400    


%chk=000007776-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000007776

0 1
O 6.252572 -0.344846 0.155361
O -6.248629 -0.350328 -0.168982
O 5.199417 1.725326 0.336533
O -5.199519 1.728908 -0.230646
C 0.001394 0.498807 0.014249
C 1.291653 -0.350444 0.050372
C -1.288626 -0.350670 -0.024753
C 2.573314 0.509816 0.094470
C -2.570602 0.509340 -0.064444
C 3.852461 -0.348215 0.129829
C -3.849357 -0.348999 -0.103461
C 8.667350 -0.733192 0.140774
C -8.663055 -0.742229 -0.170217
C 5.124662 0.480575 0.217525
C -5.122592 0.479978 -0.172668
C 7.576881 0.340516 0.252976
C -7.573751 0.335885 -0.246468
C 10.048578 -0.081661 0.393158
C 8.621109 -1.446790 -1.229303
C -10.044303 -0.085263 -0.407776
C -8.620195 -1.496273 1.178111
H 0.026765 1.166738 -0.871588
H -0.024135 1.163621 0.902406
H 1.263842 -1.019747 0.936167
H 1.317918 -1.013376 -0.840169
H -1.314323 -1.017004 0.863279
H -1.260974 -1.016594 -0.913085
H 2.552337 1.171671 0.981166
H 2.605063 1.181418 -0.785055
H -2.602743 1.176795 0.818078
H -2.549610 1.175475 -0.948050
H 3.922805 -0.997414 -0.764572
H 3.837075 -1.038544 0.996953
H -3.839169 -1.031613 -0.976361
H -3.913923 -1.006355 0.785808
H 8.479782 -1.483607 0.935109
H -8.471785 -1.468377 -0.985930
H 7.619733 0.876603 1.219419
H 7.647635 1.087251 -0.561097
H -7.615600 0.901907 -1.195755
H -7.646810 1.056843 0.590333
H 10.101409 0.395221 1.389801
H 10.849538 -0.840616 0.337286
H 10.266444 0.691935 -0.368156
H 9.377925 -2.250970 -1.278533
H 7.627617 -1.892902 -1.407782
H 8.831748 -0.732890 -2.049303
H -10.094595 0.420539 -1.390194
H -10.844440 -0.846498 -0.376708
H -10.265566 0.665458 0.375155
H -9.376829 -2.301763 1.201253
H -7.627027 -1.947288 1.345743
H -8.833271 -0.807160 2.018442


