%chk=000127022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127022

0 1
 O   9.1700003E-02  5.1199999E-02 -0.4599000    
 O    4.134800       2.426500      0.8092000    
 O    1.801500       3.581400      0.7423000    
 O    4.324600      -2.109900     -0.5457000    
 O   -5.371400     -5.3100001E-02   1.419700    
 O   -6.126000      0.3817000     -0.8273000    
 C  -0.6583000       1.006200      0.3070000    
 C  -0.1787000       2.429600      2.9700000E-02
 C    1.443000      0.1377000     -0.2454000    
 C    2.082000       1.304400      0.1845000    
 C   -2.125100      0.8481000     -3.4100000E-02
 C    1.283500       2.532500      0.3777000    
 C    2.194500      -1.008900     -0.5062000    
 C    3.464300       1.318500      0.3867000    
 C    1.527500      -2.258300     -0.9878000    
 C    3.575300     -0.9966000     -0.3063000    
 C   -3.028700      0.4523000      0.9552000    
 C   -2.565600       1.101600      -1.345100    
 C    4.207700      0.1629000      0.1438000    
 C   -4.354700      0.3219000      0.5965000    
 C   -4.785500      0.5701000     -0.6866000    
 C   -3.914200      0.9623000      -1.681900    
 C    1.092200      -3.159900      0.1393000    
 C   -6.490700     -1.2400000E-02  0.5111000    
 C  -0.1496000      -3.601000      0.4168000    
 C    4.626700       3.309400     -0.1970000    
 C    5.727900      -2.007500     -0.3146000    
 C  -0.5145000      -4.502200       1.562200    
 C   -1.314400      -3.188500     -0.4436000    
 H  -0.5124000      0.7670000       1.370900    
 H  -0.7397000       3.146600      0.6395000    
 H  -0.2730000       2.710700      -1.025200    
 H    2.226800      -2.833500      -1.610000    
 H   0.7326000      -2.007000      -1.693700    
 H   -2.708000      0.2510000       1.971600    
 H   -1.863100       1.397300      -2.120100    
 H    5.276100      0.2339000      0.3200000    
 H   -4.257200       1.153700      -2.692300    
 H    1.896600      -3.498500      0.7922000    
 H   -7.230300      0.6984000      0.8971000    
 H   -6.946800      -1.008300      0.4716000    
 H    5.524500       2.883200     -0.6553000    
 H    3.875600       3.502900     -0.9698000    
 H    4.893700       4.257100      0.2786000    
 H    6.165000      -2.982100     -0.5562000    
 H    6.196100      -1.277000     -0.9834000    
 H    5.951300      -1.814000      0.7401000    
 H   0.3659000      -4.783500       2.149200    
 H   -1.218700      -4.001400       2.234200    
 H  -0.9771000      -5.422300       1.191000    
 H   -2.143400      -2.858900      0.1937000    
 H   -1.663300      -4.045600      -1.029400    
 H   -1.126500      -2.366500      -1.133000    


%chk=000127022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127022

0 1
O 0.113762 0.042261 -0.458737
O 4.428442 2.341561 0.643949
O 1.707944 3.401745 1.395226
O 4.260758 -2.239513 -0.797079
O -5.705096 0.808124 1.151078
O -6.204061 0.651097 -1.192555
C -0.717473 0.965225 0.363626
C -0.157338 2.392097 0.218885
C 1.509515 0.122843 -0.292820
C 2.154037 1.323312 0.196638
C -2.153269 0.825875 -0.102110
C 1.309618 2.445585 0.657548
C 2.202552 -1.054997 -0.636093
C 3.589693 1.288696 0.275249
C 1.477986 -2.315784 -1.094458
C 3.617088 -1.040915 -0.472138
C -3.198142 0.844245 0.866523
C -2.453226 0.733854 -1.483807
C 4.302577 0.110905 -0.033856
C -4.508369 0.776668 0.391349
C -4.801740 0.683988 -0.985658
C -3.792553 0.656862 -1.951220
C 1.275366 -3.302302 0.049604
C -6.796795 0.565403 0.169499
C 0.093787 -3.750935 0.562892
C 4.203508 3.714444 0.150827
C 5.717346 -2.305049 -0.633750
C 0.080931 -4.759722 1.702513
C -1.281792 -3.325001 0.079040
H -0.624089 0.639647 1.420987
H -0.735419 3.103345 0.832259
H -0.241707 2.701429 -0.841814
H 2.094536 -2.804243 -1.872947
H 0.515694 -2.037054 -1.549155
H -2.986341 0.908068 1.938014
H -1.629278 0.693306 -2.202377
H 5.390910 0.155487 0.041124
H -4.026015 0.579131 -3.015931
H 2.209885 -3.680851 0.489572
H -7.559011 1.352538 0.279226
H -7.199659 -0.452974 0.323508
H 3.744729 3.698470 -0.855997
H 3.551598 4.262350 0.847392
H 5.209674 4.160308 0.100695
H 5.989066 -3.333071 -0.913883
H 6.226989 -1.586448 -1.303258
H 6.009776 -2.109784 0.415129
H 1.101469 -5.058596 1.999085
H -0.430118 -4.344556 2.594613
H -0.476464 -5.674750 1.417393
H -1.915575 -3.023827 0.936859
H -1.802928 -4.168700 -0.417182
H -1.248281 -2.476599 -0.621979


