%chk=000041063.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041063

0 1
 O   0.5502000      -3.405100      0.4670000    
 O   -1.737100      -1.554600      -1.671000    
 O  -0.3830000      -4.298400      -1.526400    
 O    5.503000      -1.923200      0.4233000    
 O   -4.929800     -0.2559000       1.228600    
 O   -5.420300       1.916800       1.661300    
 C  -0.3723000      -1.147200      0.3422000    
 C   -1.677500      -1.714500     -0.2552000    
 C   0.8229000      -2.072400      1.6600000E-02
 C   -1.853900      -3.191400      0.1000000    
 C  -0.1503000      0.2983000     -0.1157000    
 C  -0.5866000      -4.010500     -0.1471000    
 C    2.094900      -1.651400      0.6864000    
 C   -1.258500       1.268300      0.1680000    
 C    3.226500      -1.364400      2.6500000E-02
 C    4.501000     -0.9436000      0.7031000    
 C    5.026000      0.4080000      0.2000000    
 C   -1.934300       2.017600     -0.7164000    
 C    4.009500       1.543900      0.3487000    
 C   -3.041500       2.956800     -0.3359000    
 C    4.500600       2.877300     -0.2245000    
 C   -4.388100       2.620100     -0.9911000    
 C    3.517600       4.029800     -1.4800000E-02
 C   -4.929000       1.234700     -0.6242000    
 C    4.047600       5.325400     -0.6105000    
 C   -5.137600       1.035500      0.8612000    
 H  -0.5058000      -1.149500       1.434700    
 H   -2.532500      -1.164900      0.1531000    
 H   0.9741000      -2.104700      -1.070700    
 H   -2.095100      -3.249300       1.168800    
 H   -2.687600      -3.621400     -0.4666000    
 H   8.4700003E-02  0.3120000      -1.188200    
 H   0.7392000      0.6979000      0.3863000    
 H  -0.7259000      -4.978500      0.3485000    
 H    2.081600      -1.583200       1.771800    
 H   -1.526500       1.356300       1.219900    
 H   -2.600500      -1.887700      -1.969300    
 H    3.245900      -1.439800      -1.058200    
 H    4.378000     -0.8985000       1.791600    
 H   9.7499996E-02  -5.142100      -1.577100    
 H    5.321700      0.3162000     -0.8539000    
 H    5.948000      0.6587000      0.7401000    
 H   -1.681300       1.951300      -1.771400    
 H    3.767600       1.671400       1.410900    
 H    3.075600       1.286500     -0.1628000    
 H   -2.747900       3.965200     -0.6532000    
 H   -3.154600       3.007000      0.7532000    
 H    4.694500       2.754900      -1.297400    
 H    5.459600       3.134500      0.2425000    
 H   -4.291900       2.683800      -2.082200    
 H   -5.117500       3.383900     -0.6941000    
 H    3.335100       4.171600       1.056600    
 H    2.555100       3.785200     -0.4789000    
 H    5.194800      -2.771800      0.7852000    
 H   -4.245300      0.4633000     -0.9957000    
 H   -5.896500       1.077000      -1.113700    
 H    4.995600       5.612500     -0.1446000    
 H    4.210400       5.224000      -1.688300    
 H    3.330700       6.136800     -0.4502000    
 H   -5.043000     -0.3840000       2.194500    


%chk=000041063-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041063

0 1
O 0.487142 -3.424953 0.570704
O -1.894379 -1.810213 -1.608805
O -0.869699 -4.336678 -1.209464
O 5.543509 -1.899818 -0.001253
O -5.061325 -0.336145 1.324056
O -5.433948 1.933712 1.610789
C -0.421269 -1.089388 0.281126
C -1.785591 -1.713300 -0.141773
C 0.740314 -2.067756 -0.040015
C -1.985630 -3.089574 0.525169
C -0.194429 0.283402 -0.413054
C -0.797176 -4.013473 0.236306
C 2.065739 -1.646663 0.536042
C -1.258338 1.302497 -0.062941
C 3.166904 -1.338595 -0.195524
C 4.493981 -0.926163 0.401560
C 5.000398 0.440600 -0.092210
C -2.074571 1.905009 -0.967073
C 4.140632 1.628257 0.391295
C -3.172478 2.893904 -0.636577
C 4.680047 2.992226 -0.094503
C -4.563793 2.437671 -1.163841
C 3.825950 4.189108 0.381842
C -4.988616 1.040175 -0.662247
C 4.371692 5.549120 -0.104613
C -5.179887 0.982466 0.839191
H -0.450328 -0.940442 1.382574
H -2.595436 -1.030569 0.165902
H 0.811871 -2.188804 -1.140398
H -2.067235 -2.967707 1.620601
H -2.915896 -3.558501 0.159687
H -0.187118 0.122170 -1.507290
H 0.805926 0.662422 -0.120093
H -0.822384 -4.945712 0.829484
H 2.103961 -1.596108 1.635033
H -1.368401 1.554507 1.005405
H -1.556191 -2.714006 -1.869630
H 3.142554 -1.402229 -1.294462
H 4.406426 -0.909222 1.511096
H -0.094872 -4.903928 -1.453471
H 5.043291 0.423353 -1.199180
H 6.041756 0.557747 0.266183
H -1.965528 1.635731 -2.030441
H 4.097930 1.628788 1.501022
H 3.095904 1.502833 0.039252
H -2.946339 3.878929 -1.094564
H -3.225949 3.056065 0.456373
H 4.726835 2.994757 -1.203609
H 5.723857 3.123220 0.260245
H -4.544853 2.409560 -2.270834
H -5.321956 3.185625 -0.865934
H 3.778011 4.183888 1.490162
H 2.783852 4.057777 0.025367
H 5.217711 -2.811704 0.213896
H -4.261033 0.265702 -0.961631
H -5.956079 0.750180 -1.120646
H 5.400911 5.718188 0.264979
H 4.402116 5.591281 -1.209851
H 3.743805 6.387866 0.248261
H -5.244498 -0.332582 2.303622


