%chk=000116711.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116711

0 1
 O   -3.406800       1.418400      -1.141900    
 C   -3.668400      0.8071000      0.1302000    
 C   -2.475200     -0.1105000      0.4833000    
 C   -5.029400      8.8299997E-02  2.8400000E-02
 C   -2.298600      -1.332600     -0.4312000    
 C   -3.727800       1.961100       1.139800    
 C   -1.126900      -2.167800      9.3000000E-03
 C   -5.539900     -0.5291000       1.320800    
 C   9.3999999E-03  -2.450200     -0.6568000    
 C    1.117300      -3.347500     -0.1507000    
 C    2.500200      -2.683500     -0.1299000    
 C   0.2219000      -1.894100      -2.043100    
 C    2.588700      -1.554800      0.8589000    
 C    3.426500     -0.4989000      0.8664000    
 C    3.387800      0.6286000       1.878700    
 C    3.055100       2.021300       1.322700    
 C    4.445400     -0.3609000     -0.2379000    
 C    1.778400       2.073900      0.5307000    
 C    1.622500       2.476900     -0.7445000    
 C    2.804500       2.947500      -1.548800    
 C   0.3154000       2.506900      -1.484600    
 H   -1.550100      0.4793000      0.4404000    
 H   -2.576100     -0.4536000       1.521400    
 H   -4.990300     -0.6781000     -0.7547000    
 H   -5.784000      0.8021000     -0.3298000    
 H   -2.218200     -0.9931000      -1.465500    
 H   -3.186200      -1.972800     -0.3801000    
 H   -2.818700       2.571900       1.084000    
 H   -4.563600       2.634700      0.9185000    
 H   -3.833200       1.604800       2.169100    
 H   -1.242000      -2.610100      0.9988000    
 H   -5.716700      0.2291000       2.088800    
 H   -4.837800      -1.268900       1.715700    
 H   -6.491600      -1.039100       1.138500    
 H    1.163900      -4.233200     -0.7975000    
 H   0.8740000      -3.719800      0.8530000    
 H   -4.138300       2.026800      -1.342800    
 H    3.231700      -3.446300      0.1647000    
 H    2.769700      -2.350500      -1.137500    
 H  -0.7028000      -1.725800      -2.598700    
 H   0.7984000      -2.600900      -2.651300    
 H   0.7812000     -0.9543000      -1.993900    
 H    1.880000      -1.613100       1.685200    
 H    4.357800      0.6727000       2.390500    
 H    2.654400      0.3870000       2.660000    
 H    3.926200       2.372900      0.7677000    
 H    2.950100       2.711300       2.169600    
 H    4.699000      -1.313000     -0.7128000    
 H    5.383500      3.5500001E-02  0.1665000    
 H    4.088500      0.3253000      -1.009500    
 H   0.8894000       1.751900       1.071400    
 H    3.089200       2.181200      -2.277000    
 H    2.530300       3.849500      -2.108900    
 H    3.688000       3.222600     -0.9737000    
 H   9.1700003E-02   3.521900      -1.827900    
 H   0.3541000       1.842300      -2.353500    
 H  -0.5143000       2.183100     -0.8499000    


%chk=000116711-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116711

0 1
O -2.909763 1.432230 -0.847508
C -3.438084 0.805672 0.405713
C -2.409771 -0.303782 0.728935
C -4.865804 0.272083 0.103203
C -2.292086 -1.422282 -0.342622
C -3.446638 1.873343 1.522401
C -1.144771 -2.360581 -0.028993
C -5.534661 -0.520297 1.248077
C 0.021784 -2.524903 -0.719228
C 1.090262 -3.483006 -0.196764
C 2.482672 -2.816010 0.028368
C 0.372167 -1.787846 -1.999668
C 2.401740 -1.596454 0.930210
C 3.199674 -0.490815 0.907416
C 2.940172 0.670686 1.861767
C 2.751868 2.051164 1.155167
C 4.373655 -0.317405 -0.041367
C 1.602205 2.062672 0.166345
C 1.590974 2.545550 -1.110569
C 2.783138 3.193458 -1.796875
C 0.337387 2.468462 -1.969430
H -1.421319 0.183350 0.836917
H -2.656956 -0.746872 1.713738
H -4.810003 -0.357284 -0.804557
H -5.508630 1.140277 -0.158195
H -2.172866 -0.943005 -1.328967
H -3.239357 -2.000130 -0.373600
H -2.438390 2.311510 1.628761
H -4.156547 2.690804 1.287834
H -3.740488 1.441489 2.496382
H -1.267951 -2.947103 0.897283
H -5.649185 0.093390 2.159999
H -4.948418 -1.418605 1.514249
H -6.542783 -0.858581 0.946758
H 1.227294 -4.320702 -0.913565
H 0.745924 -3.929771 0.756674
H -3.520137 2.168787 -1.109572
H 3.158139 -3.582253 0.466348
H 2.921157 -2.546307 -0.950799
H -0.489139 -1.255857 -2.434956
H 0.764272 -2.490144 -2.761690
H 1.163843 -1.036122 -1.809024
H 1.577601 -1.614930 1.660984
H 3.789612 0.771662 2.571776
H 2.039885 0.450994 2.468792
H 3.698737 2.347879 0.667785
H 2.568808 2.806104 1.949997
H 4.627057 -1.246947 -0.576688
H 5.276620 0.011356 0.510483
H 4.158797 0.462926 -0.798352
H 0.668576 1.614551 0.543992
H 3.000850 2.687367 -2.758850
H 2.560968 4.251393 -2.043294
H 3.700844 3.178573 -1.186009
H 0.048112 3.475310 -2.334542
H 0.519825 1.850023 -2.872512
H -0.523573 2.038323 -1.429560


