%chk=000121943.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121943

0 1
 O    6.955600      0.7179000      5.7700001E-02
 O   -4.898800       2.033200      -2.685700    
 O   -5.307200      -4.004100       1.417300    
 O   -4.447700      -2.121400       2.356800    
 C    4.261300      -1.857800     -0.6085000    
 C    5.628900      -1.267400     -0.2625000    
 C    4.188500      -3.384800     -0.4908000    
 C    5.665000      0.2654000     -0.3528000    
 C    2.815800      -3.986900     -0.8048000    
 C   -4.874200      2.9600000E-02  -1.373700    
 C   -4.658800     -0.6146000       0.000000    
 C   -4.514400       1.520600      -1.410700    
 C    2.788400      -5.505500     -0.7064000    
 C    4.653900      0.9224000      0.5435000    
 C   -5.052000      -2.089500      1.8100001E-02
 C   -3.063600       1.807700      -1.114900    
 C    3.717800       1.776300      0.1027000    
 C   -4.894500      -2.712600       1.382500    
 C   -2.520000       2.563000     -0.1466000    
 C    2.740900       2.394300      0.9696000    
 C   0.7787000       3.892400       1.413800    
 C    1.805600       3.248000      0.5268000    
 C   -1.112200       2.799700      8.5000001E-02
 C  -0.6569000       3.574100       1.083600    
 H    3.992500      -1.566200      -1.631400    
 H    3.493500      -1.436800      5.1100001E-02
 H    5.922700      -1.582900      0.7477000    
 H    6.392500      -1.684800     -0.9312000    
 H    4.933600      -3.825400      -1.165100    
 H    4.477900      -3.675900      0.5269000    
 H    5.523300      0.5759000      -1.394800    
 H    2.071200      -3.571500     -0.1156000    
 H    2.513500      -3.691600      -1.816500    
 H   -4.290200     -0.5085000      -2.132300    
 H   -5.923700     -8.9900002E-02  -1.673500    
 H   -3.607100     -0.5238000      0.2974000    
 H   -5.244600     -6.9399998E-02  0.7507000    
 H   -5.138300       2.039700     -0.6724000    
 H    1.787900      -5.883500     -0.9389000    
 H    3.052200      -5.835600      0.3033000    
 H    3.495500      -5.955000      -1.410700    
 H    4.707000      0.6781000       1.602700    
 H   -6.101300      -2.193300     -0.2800000    
 H   -4.426400      -2.649100     -0.6859000    
 H   -2.374100       1.325100      -1.809000    
 H    7.610800      0.3088000     -0.5330000    
 H    3.671400       2.020300     -0.9556000    
 H   -4.661400       2.976100      -2.708600    
 H   -3.204100       3.051200      0.5459000    
 H    2.773000       2.133600       2.024400    
 H   0.9102000       4.979500       1.352100    
 H   0.9523000       3.616800       2.461400    
 H    1.781700       3.520900     -0.5267000    
 H  -0.4250000       2.311500     -0.5992000    
 H   -1.380000       4.046700       1.747800    
 H   -5.202100      -4.398200       2.309500    


%chk=000121943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121943

0 1
O 7.085718 0.547236 0.899380
O -4.321316 0.993519 -3.111018
O -5.977089 -3.444855 2.505594
O -5.730151 -1.200431 3.042528
C 4.420387 -1.713722 -0.792151
C 5.623647 -1.298131 0.082236
C 4.240594 -3.245678 -0.884636
C 5.834700 0.237787 0.161430
C 3.034429 -3.662594 -1.757023
C -4.733298 -0.407978 -1.207993
C -4.931460 -0.544399 0.315588
C -4.219031 0.982746 -1.625494
C 2.851775 -5.193477 -1.839806
C 4.735166 0.938095 0.917052
C -5.418875 -1.954468 0.697855
C -2.797753 1.260942 -1.201293
C 3.819420 1.781210 0.356895
C -5.707358 -2.103678 2.178436
C -2.424240 2.312993 -0.410604
C 2.735514 2.427056 1.096567
C 0.704074 3.961271 1.291251
C 1.813579 3.265808 0.536294
C -1.051378 2.596963 0.002021
C -0.703437 3.639679 0.814684
H 4.546120 -1.299144 -1.815001
H 3.497227 -1.257110 -0.383407
H 5.504040 -1.693518 1.110558
H 6.547319 -1.758909 -0.333135
H 5.164445 -3.704544 -1.295931
H 4.114667 -3.663537 0.136126
H 5.898647 0.642024 -0.873728
H 2.113091 -3.200003 -1.347946
H 3.162867 -3.248432 -2.777981
H -4.021503 -1.171551 -1.579805
H -5.692104 -0.578637 -1.736158
H -3.985063 -0.324121 0.844223
H -5.664831 0.203083 0.674055
H -4.888752 1.764611 -1.201888
H 1.983806 -5.465055 -2.468357
H 2.690694 -5.628234 -0.835129
H 3.747490 -5.676956 -2.273746
H 4.702901 0.718106 1.994437
H -6.348983 -2.211576 0.151310
H -4.682662 -2.729091 0.410004
H -2.040663 0.558947 -1.583290
H 7.812152 -0.021189 0.533656
H 3.886498 2.004637 -0.719478
H -3.870431 1.812164 -3.443078
H -3.203831 3.000091 -0.043239
H 2.676334 2.212384 2.174890
H 0.844479 5.062508 1.219970
H 0.781038 3.726208 2.374141
H 1.868204 3.475286 -0.543579
H -0.266400 1.917423 -0.360206
H -1.496653 4.308125 1.185609
H -6.179259 -3.507085 3.478809


