%chk=000105108.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105108

0 1
 O   -1.477100     -0.1697000     -0.8340000    
 O    1.258100     -0.7429000     -0.8527000    
 O    3.465200     -0.2812000      -1.576000    
 O    1.919000      -3.424900     -0.5298000    
 O    4.118300      -3.106600       1.366800    
 O    4.669100     -0.3005000       1.889900    
 O    5.463000       1.825600      0.3958000    
 O    5.385300       1.372300      -1.836800    
 O   -3.848200      -1.433100       2.298200    
 O   -7.534900     -0.3584000     -0.2321000    
 N   -3.511500     -0.2306000      0.3256000    
 N   0.1297000       2.730000      0.5987000    
 N   -5.678100     -0.8910000       1.026300    
 N    1.199000       2.965900       1.185800    
 N    2.179400       3.193300       1.722500    
 C  -0.4972000      0.8821000     -0.8958000    
 C  -0.2612000       1.326700      0.5394000    
 C   -1.626800       1.122600       1.151200    
 C   -2.086800     -0.1504000      0.4648000    
 C    2.958800      -2.460500     -0.6520000    
 C    2.439600      -1.268000      -1.455500    
 C   0.7556000      0.3669000      -1.581100    
 C    3.445000      -2.020800      0.7283000    
 C    4.436100     -0.8620000      0.5989000    
 C    3.896400      0.2322000     -0.3175000    
 C   -4.102500      0.3575000     -0.7854000    
 C    4.980900       1.187400     -0.6986000    
 C   -4.303900     -0.8899000       1.289700    
 C   -5.417800      0.3547000      -1.034300    
 C   -6.319000     -0.3207000     -6.3100003E-02
 C   -6.033500      0.9941000      -2.237200    
 H  -0.9288000       1.693900      -1.494800    
 H   0.4552000      0.6710000       1.053300    
 H   -2.286800       1.968100      0.9159000    
 H   -1.603900       1.028500       2.241600    
 H   -1.717100      -1.026800       1.010500    
 H    3.787500      -2.935200      -1.192400    
 H    2.179100      -1.612300      -2.463800    
 H    1.494200       1.172500      -1.646000    
 H   0.5021000      3.3599999E-02  -2.594400    
 H    2.597500      -1.757800       1.373000    
 H    5.399700      -1.238800      0.2341000    
 H    3.090400      0.8103000      0.1468000    
 H   -3.442600      0.8679000      -1.478800    
 H    2.263300      -4.156700      1.0400000E-02
 H    4.430400      -2.787500       2.230900    
 H    3.821100      3.1300001E-02   2.231200    
 H   -6.268800      -1.360100       1.707300    
 H   -6.569700      0.2491000      -2.834000    
 H   -5.281900       1.459400      -2.883700    
 H   -6.741000       1.773500      -1.935800    
 H    6.178100       2.456800      0.1665000    


%chk=000105108-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105108

0 1
O -1.710892 -0.614588 -0.794070
O 1.530346 -0.804374 -0.304820
O 3.534463 -0.700421 -1.649874
O 2.415933 -3.240753 0.840363
O 4.758258 -2.166170 2.095104
O 5.358163 0.690358 1.386639
O 4.617768 2.281763 -2.080687
O 6.267767 0.642095 -2.024015
O -4.756205 -2.407742 1.010447
O -7.873899 0.353528 -1.115027
N -3.987505 -0.413976 0.004988
N 0.097097 1.588923 1.594100
N -6.272348 -0.991261 -0.077974
N 1.340569 1.609539 1.794375
N 2.484557 1.803264 2.050053
C -0.614436 0.346966 -0.508648
C -0.527835 0.343633 1.045654
C -2.008874 0.255287 1.453263
C -2.596689 -0.714615 0.398342
C 3.343382 -2.335728 0.173145
C 2.590132 -1.570672 -0.924966
C 0.650230 -0.098863 -1.255064
C 3.982868 -1.347086 1.157408
C 4.888158 -0.329318 0.437101
C 4.162769 0.320615 -0.764607
C -4.283429 0.743099 -0.723582
C 5.147287 1.055056 -1.672270
C -4.991371 -1.355072 0.356722
C -5.549221 1.080707 -1.136573
C -6.661425 0.173075 -0.805670
C -5.864800 2.326315 -1.926034
H -0.916097 1.358300 -0.856166
H 0.031266 -0.555288 1.359891
H -2.477924 1.253133 1.382709
H -2.150963 -0.124462 2.476601
H -2.600075 -1.761114 0.741904
H 4.159971 -2.900976 -0.324232
H 2.194977 -2.241678 -1.709312
H 1.188394 0.771703 -1.675452
H 0.360392 -0.771625 -2.085826
H 3.179927 -0.807099 1.700782
H 5.806969 -0.829167 0.085919
H 3.390738 1.028465 -0.408848
H -3.419593 1.363435 -0.975185
H 2.913699 -3.664273 1.587209
H 5.290579 -1.558535 2.670475
H 4.576403 1.216428 1.711985
H -7.021856 -1.647853 0.163740
H -6.326739 2.067506 -2.895884
H -4.958161 2.926324 -2.114634
H -6.600274 2.952608 -1.389557
H 5.265548 2.741385 -2.682144


