%chk=000165014.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165014

0 1
 O    4.510300      -1.593700      0.4670000    
 O    5.565300      0.3394000     -0.2306000    
 O   -6.300800     -0.4710000       1.003500    
 C    1.140400       1.141600      0.3601000    
 C    2.081800     -1.2500000E-02 -4.5800000E-02
 C  -0.2429000       1.040900     -0.2910000    
 C  -0.9047000     -0.3058000      0.1395000    
 C   -2.357600     -0.4889000     -0.4472000    
 C    1.454300      -1.323100      0.4476000    
 C    3.354000      0.4231000      0.7144000    
 C   3.3500001E-02  -1.518300     -0.1117000    
 C    1.984900       2.388000      0.1179000    
 C   -1.138500       2.219400      0.1114000    
 C    3.404400       1.953600      0.5255000    
 C   -3.180900      0.7780000     -0.1811000    
 C    2.347400     -9.9699996E-02  -1.571500    
 C   -2.522800       2.096700     -0.5123000    
 C   -3.018300      -1.710200      0.2563000    
 C   -2.337900     -0.7400000      -1.972000    
 C    4.610100     -0.2503000      0.2561000    
 C   -4.526100      -1.778700      7.0600003E-02
 C   -4.436000      0.7713000      0.2984000    
 C   -5.169000     -0.4953000      0.5239000    
 C    5.649100      -2.364600      7.1000002E-02
 H   0.9799000       1.090800       1.450400    
 H  -0.1320000       1.068200      -1.380200    
 H   -1.018300     -0.2462000       1.234500    
 H    1.402600      -1.327900       1.544100    
 H    2.064500      -2.186800      0.1617000    
 H    3.252300      0.2219000       1.790300    
 H   9.9699996E-02  -1.731400      -1.183200    
 H  -0.3844000      -2.417000      0.3551000    
 H    1.644400       3.239800      0.7154000    
 H    1.961800       2.690700     -0.9349000    
 H  -0.6891000       3.164400     -0.2150000    
 H   -1.228600       2.270500       1.204200    
 H    4.119000       2.284600     -0.2355000    
 H    3.695900       2.435100       1.466300    
 H    2.862600      0.7861000      -1.956700    
 H    2.975900     -0.9656000      -1.808900    
 H    1.430600     -0.2125000      -2.155900    
 H   -2.443500       2.190400      -1.602500    
 H   -3.134600       2.942900     -0.1760000    
 H   -2.811900      -1.666400       1.334900    
 H   -2.581800      -2.649000     -0.1049000    
 H   -1.762500      1.9400001E-02  -2.510400    
 H   -1.902500      -1.714900      -2.214700    
 H   -3.349500     -0.7293000      -2.394600    
 H   -4.925000      -2.600200      0.6760000    
 H   -4.800400      -1.960700     -0.9731000    
 H   -4.982600       1.689400      0.4860000    
 H    5.442100      -3.414900      0.2926000    
 H    6.532500      -2.053400      0.6365000    
 H    5.821000      -2.260000      -1.004500    


%chk=000165014-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165014

0 1
O 4.761892 -1.571072 0.821255
O 5.457081 0.069659 -0.674381
O -6.407546 -0.547114 1.105137
C 1.139687 1.144305 0.310377
C 2.070196 -0.035137 -0.119171
C -0.269852 1.070479 -0.314275
C -0.931512 -0.288388 0.090141
C -2.402989 -0.467479 -0.471574
C 1.420192 -1.353823 0.358546
C 3.382205 0.388983 0.650159
C -0.011853 -1.505796 -0.220413
C 2.006820 2.408006 0.093493
C -1.154154 2.249656 0.148581
C 3.456434 1.941082 0.465615
C -3.224432 0.786169 -0.117312
C 2.339934 -0.073550 -1.647219
C -2.590807 2.132769 -0.414017
C -3.039364 -1.726057 0.199498
C -2.415827 -0.632296 -2.025289
C 4.632028 -0.329130 0.179769
C -4.574562 -1.802077 0.069043
C -4.490939 0.721256 0.407350
C -5.247143 -0.533669 0.590339
C 5.932882 -2.384074 0.409576
H 0.998667 1.034292 1.411480
H -0.178349 1.124608 -1.419773
H -1.040893 -0.245093 1.199451
H 1.370112 -1.352329 1.467373
H 2.035672 -2.227380 0.070178
H 3.231680 0.129612 1.715038
H 0.054991 -1.659749 -1.314007
H -0.459560 -2.426338 0.197157
H 1.675321 3.257172 0.716668
H 1.956396 2.739448 -0.961140
H -0.710735 3.210528 -0.174467
H -1.191160 2.265058 1.257499
H 4.182289 2.191384 -0.327058
H 3.810964 2.421918 1.394495
H 2.877906 0.824131 -1.996650
H 2.965358 -0.948007 -1.905141
H 1.406050 -0.155347 -2.227998
H -2.542327 2.268943 -1.515846
H -3.231343 2.945260 -0.024886
H -2.778575 -1.716806 1.277574
H -2.592984 -2.641383 -0.231170
H -1.915683 0.209110 -2.536131
H -1.905269 -1.563935 -2.326750
H -3.452050 -0.680065 -2.405033
H -4.984223 -2.669922 0.615669
H -4.870346 -1.928934 -0.992477
H -5.028393 1.640536 0.674968
H 5.862849 -3.302311 1.009595
H 6.868459 -1.840306 0.622469
H 5.884910 -2.608896 -0.669318


