%chk=000102777.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102777

0 1
 O    3.548900      0.4209000      0.3643000    
 O    3.788300      -4.930100      0.7586000    
 O   -4.018600     -0.7118000     -0.3812000    
 O    4.284600      -3.625300      -1.030500    
 O    3.859700      -1.119200       2.039400    
 O   -2.311600     -0.7158000      -1.917700    
 N    2.715800      -1.649300      9.1399997E-02
 N   -2.494800      -2.367300     -0.2972000    
 C    1.132600      -3.498400     -0.3047000    
 C  -9.4800003E-02  -2.671200      8.6700000E-02
 C    2.404300      -3.022500      0.3971000    
 C   -1.339800      -3.144400     -0.6548000    
 C    3.593800      -3.851900     -4.5400001E-02
 C    3.417000     -0.8125000      0.9373000    
 C   -2.886900      -1.216800     -0.9572000    
 C    4.259900       1.395300       1.136200    
 C   -4.537200      0.4865000     -0.9692000    
 C    4.314000       2.683600      0.3689000    
 C   -5.770900      0.9037000     -0.2238000    
 C    5.375100       2.932900     -0.5017000    
 C    3.303000       3.631900      0.5256000    
 C   -7.021300      0.4358000     -0.6276000    
 C   -5.667300       1.759100      0.8733000    
 C    5.425400       4.130300      -1.215200    
 C    3.353300       4.829400     -0.1881000    
 C   -8.168200      0.8234000      6.5300003E-02
 C   -6.814200       2.146500       1.566300    
 C    4.414600       5.078500      -1.058500    
 C   -8.064600       1.678500       1.162200    
 H   0.9558000      -4.554600     -6.4900003E-02
 H    1.269600      -3.447200      -1.393200    
 H  -0.2591000      -2.742200       1.169200    
 H   7.2700001E-02  -1.610500     -0.1357000    
 H    2.302000      -3.112900       1.485300    
 H   -1.187700      -3.076600      -1.737700    
 H   -1.560800      -4.187800     -0.4064000    
 H    2.452300      -1.283800     -0.8192000    
 H   -3.054600      -2.675900      0.4919000    
 H    5.275400       1.034900       1.342500    
 H    3.752800       1.548200       2.097000    
 H    4.544200      -5.478300      0.4580000    
 H   -4.775400      0.3077000      -2.025100    
 H   -3.780500       1.279500     -0.9222000    
 H    6.167500       2.200900     -0.6339000    
 H    2.469900       3.448400       1.199000    
 H   -7.114800     -0.2326000      -1.479400    
 H   -4.698500       2.128500       1.199000    
 H    6.251300       4.324200      -1.893400    
 H    2.566000       5.567600     -6.6699997E-02
 H   -9.141900      0.4587000     -0.2487000    
 H   -6.733700       2.811900       2.420900    
 H    4.453600       6.010700      -1.614400    
 H   -8.957500       1.980000       1.702000    


%chk=000102777-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102777

0 1
O 3.381657 0.379531 0.842221
O 3.175832 -5.433512 0.844499
O -3.763633 -0.604925 -1.260268
O 4.756353 -3.951666 0.003490
O 1.594232 -0.758516 1.898402
O -1.533339 0.008776 -1.766969
N 3.052121 -1.815848 0.391422
N -2.176646 -2.219146 -1.400394
C 1.407998 -3.453825 -0.608384
C 0.091072 -2.675502 -0.396709
C 2.466932 -3.151717 0.504998
C -0.848595 -2.814786 -1.617718
C 3.599782 -4.172526 0.424459
C 2.583400 -0.744236 1.116235
C -2.398728 -0.867258 -1.493273
C 2.841511 1.692045 1.325597
C -4.151653 0.845420 -1.203454
C 2.199132 2.445174 0.178791
C -4.123414 1.369812 0.215936
C 2.746186 3.668414 -0.280817
C 1.046320 1.921319 -0.462740
C -5.277369 1.285063 1.036011
C -2.939948 1.945757 0.745961
C 2.149665 4.360284 -1.360645
C 0.460381 2.598218 -1.553754
C -5.250256 1.760874 2.365775
C -2.910456 2.419910 2.075894
C 1.009247 3.823722 -2.001590
C -4.064666 2.328693 2.888763
H 1.203366 -4.542021 -0.613499
H 1.856584 -3.192054 -1.587532
H -0.418691 -3.046850 0.513213
H 0.296129 -1.604658 -0.230315
H 1.971848 -3.236010 1.489963
H -0.384425 -2.323476 -2.492978
H -0.998414 -3.881723 -1.870288
H 3.898871 -1.699475 -0.171118
H -2.963933 -2.802764 -1.117603
H 3.719764 2.223836 1.724338
H 2.124735 1.473383 2.137874
H 3.922869 -6.085496 0.754025
H -5.170549 0.845353 -1.622235
H -3.463998 1.404488 -1.861228
H 3.642603 4.077819 0.202089
H 0.603877 0.978823 -0.120400
H -6.196216 0.842483 0.631433
H -2.044574 2.013501 0.118298
H 2.579252 5.307716 -1.705720
H -0.409353 2.151684 -2.046119
H -6.147771 1.692280 2.990777
H -1.990172 2.859924 2.475458
H 0.555120 4.353919 -2.846666
H -4.041339 2.698367 3.920200


