%chk=000013957.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013957

0 1
 O   -3.906300      0.2891000       1.875300    
 O    5.707800      2.7000001E-02   1.136300    
 C   -2.569300      0.5370000     -0.1557000    
 C   -1.841300     -0.7776000      0.1948000    
 C  -0.4311000     -0.8620000     -0.4125000    
 C   -3.973500      0.2393000      0.4434000    
 C   -2.842900      -1.868200     -0.1833000    
 C   -4.230600      -1.230800      3.4800000E-02
 C   -1.769600       1.672400      0.5074000    
 C   0.3534000      0.4442000     -0.1958000    
 C    1.867500      0.4121000     -0.5522000    
 C   0.3164000      -2.062000      0.1851000    
 C   -2.654400      0.7975000      -1.684500    
 C  -0.2857000       1.557200      0.2389000    
 C    1.719700      -2.175800     -0.3887000    
 C    2.513100     -0.9176000     -0.1327000    
 C   -5.095200       1.178000      1.2100000E-02
 C    2.639400       1.588700      0.1189000    
 C    1.986000      0.5515000      -2.088400    
 C    4.153500       1.469100      2.7400000E-02
 C    3.733000      -1.023900      0.4218000    
 C    4.610200      0.1547000      0.5976000    
 H   -1.723500     -0.8291000       1.290000    
 H  -0.5186000      -1.024600      -1.494800    
 H   -2.717000      -2.762300      0.4360000    
 H   -2.729500      -2.174500      -1.229400    
 H   -4.802800      -1.297300     -0.8978000    
 H   -4.782600      -1.779800      0.8058000    
 H   -1.904700       1.685800       1.594900    
 H   -2.127100       2.641600      0.1388000    
 H  -0.2281000      -2.988900     -3.0900000E-02
 H   0.3717000      -1.973400       1.278400    
 H   -3.174800       1.740300      -1.887800    
 H   -1.669700      0.8844000      -2.153500    
 H   -3.192200      5.2999998E-03  -2.214300    
 H   0.2577000       2.483700      0.3934000    
 H    1.668600      -2.358100      -1.469000    
 H    2.208700      -3.054600      4.9500000E-02
 H   -4.855800       2.213300      0.2789000    
 H   -5.291200       1.131000      -1.063000    
 H   -6.028700      0.9306000      0.5307000    
 H    2.372500       1.639900       1.184700    
 H    2.350000       2.548200     -0.3285000    
 H   -4.770800      1.6700000E-02   2.227700    
 H    1.602600       1.521700      -2.427000    
 H    3.025100      0.4716000      -2.427000    
 H    1.420000     -0.2218000      -2.620400    
 H    4.611900       2.277300      0.6082000    
 H    4.508800       1.548900      -1.004400    
 H    4.147200      -1.983200      0.7144000    


%chk=000013957-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013957

0 1
O -3.835113 0.297472 1.895350
O 5.842381 0.106421 1.078429
C -2.568754 0.539950 -0.159525
C -1.854815 -0.803492 0.179187
C -0.437594 -0.904604 -0.412122
C -4.002877 0.255508 0.411891
C -2.880543 -1.900596 -0.212222
C -4.278734 -1.219686 -0.032966
C -1.777199 1.673962 0.527925
C 0.347427 0.394184 -0.161128
C 1.861560 0.396322 -0.527103
C 0.316034 -2.120415 0.186641
C -2.640568 0.801154 -1.687449
C -0.280703 1.519998 0.289389
C 1.761910 -2.207214 -0.347878
C 2.533862 -0.926024 -0.105216
C -5.112625 1.243243 0.020258
C 2.609294 1.597248 0.127252
C 1.963818 0.510135 -2.092958
C 4.144494 1.514189 0.008570
C 3.799325 -0.972614 0.424850
C 4.682854 0.198948 0.567297
H -1.755887 -0.814928 1.283529
H -0.512710 -1.076857 -1.511242
H -2.777781 -2.804628 0.412603
H -2.731060 -2.213617 -1.263968
H -4.850450 -1.235024 -0.979094
H -4.900092 -1.735312 0.723541
H -1.996484 1.666660 1.613416
H -2.096542 2.667759 0.150624
H -0.227324 -3.053136 -0.057860
H 0.332717 -2.027564 1.290832
H -3.197704 1.731751 -1.898322
H -1.626124 0.930537 -2.103101
H -3.132849 -0.021581 -2.237243
H 0.309986 2.422765 0.486292
H 1.716384 -2.400176 -1.441842
H 2.299518 -3.061902 0.101204
H -4.866374 2.260907 0.372240
H -5.271383 1.275516 -1.071490
H -6.074809 0.947498 0.482681
H 2.339477 1.634652 1.200529
H 2.261978 2.542537 -0.330608
H -4.693575 0.029252 2.311162
H 1.508380 1.461602 -2.421010
H 3.016559 0.484063 -2.426595
H 1.430651 -0.314135 -2.597793
H 4.635103 2.350972 0.536394
H 4.461590 1.584140 -1.052520
H 4.233173 -1.933238 0.732770


