%chk=000086029.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086029

0 1
 O   -1.834900      0.3034000      -1.194400    
 O    4.321100     -0.1273000     -0.2724000    
 C    1.612200       1.342600     -0.1017000    
 C    2.056100     -3.1099999E-02  0.4944000    
 C    1.484500      -1.295600     -0.2339000    
 C   6.0500000E-02   1.372900     -0.1291000    
 C   8.4299996E-02  -1.045400     -0.7683000    
 C  -0.5541000      0.1338000     -0.7095000    
 C    2.094700       2.495800      0.8076000    
 C    2.147100       1.618700      -1.522200    
 C    1.386700      -2.452300      0.7893000    
 C    2.366200      -1.793300      -1.399000    
 C    3.547900     -0.1238000      0.6843000    
 C    4.045800     -0.2093000       2.101800    
 C   -2.790600      3.9900001E-02 -0.1864000    
 C   -4.184400      0.2239000     -0.7745000    
 C   -5.318800     -1.5699999E-02  0.2348000    
 C   -5.221000      -1.434900      0.7994000    
 C   -5.303500      0.9978000       1.379800    
 H    1.628700     -4.5499999E-02   1.510600    
 H  -0.2783000       2.249800     -0.6965000    
 H  -0.3273000       1.496400      0.8907000    
 H  -0.4333000      -1.890300      -1.219400    
 H    1.690700       3.457400      0.4702000    
 H    1.770000       2.349100       1.843700    
 H    3.186500       2.582900      0.8055000    
 H    1.839000       2.617500      -1.856500    
 H    3.238700       1.602100      -1.570100    
 H    1.754600      0.9190000      -2.263500    
 H   0.7357000      -2.189600       1.631700    
 H   0.9742000      -3.358900      0.3298000    
 H    2.370100      -2.713500       1.194700    
 H    1.859000      -2.591100      -1.957400    
 H    2.606300      -1.012600      -2.122800    
 H    3.305500      -2.231500      -1.043900    
 H    3.752600      0.6869000       2.653500    
 H    3.639100      -1.099600       2.586600    
 H    5.137200     -0.2790000       2.102000    
 H   -2.641100      0.7302000      0.6512000    
 H   -2.662000     -0.9871000      0.1737000    
 H   -4.269900       1.235400      -1.192100    
 H   -4.302700     -0.4529000      -1.631000    
 H   -6.271200      8.2699999E-02 -0.3009000    
 H   -6.122800      -1.671300       1.375600    
 H   -4.368700      -1.560000       1.474900    
 H   -5.141200      -2.175400     -3.5000001E-03
 H   -4.427100      0.8827000       2.025200    
 H   -6.191600      0.8730000       2.009100    
 H   -5.311900       2.021800      0.9921000    


%chk=000086029-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086029

0 1
O -1.839060 -0.555114 -0.846968
O 4.438713 0.517058 -0.291563
C 1.429331 1.162112 0.162668
C 2.210522 -0.171627 0.495714
C 1.871891 -1.403714 -0.442507
C -0.092236 0.852997 0.312013
C 0.376400 -1.408951 -0.737721
C -0.495036 -0.422819 -0.404193
C 1.808880 2.245000 1.210202
C 1.699857 1.730317 -1.256060
C 2.210571 -2.717209 0.332743
C 2.663431 -1.442884 -1.785415
C 3.723798 0.060958 0.644508
C 4.340272 -0.259786 2.002955
C -2.905561 -0.090548 0.069304
C -4.227610 -0.331041 -0.669116
C -5.504232 0.101337 0.106485
C -5.701730 -0.700094 1.417616
C -5.548324 1.626037 0.376696
H 1.840456 -0.466989 1.501050
H -0.660530 1.706667 -0.109824
H -0.357937 0.796479 1.389160
H -0.013301 -2.283937 -1.274911
H 1.148269 3.126207 1.104728
H 1.701726 1.866038 2.245548
H 2.848862 2.592167 1.070546
H 1.291068 2.756710 -1.324515
H 2.781699 1.770263 -1.465281
H 1.209637 1.122980 -2.035754
H 1.669676 -2.765869 1.295947
H 1.915900 -3.599580 -0.264875
H 3.296774 -2.797991 0.528805
H 2.312090 -2.306002 -2.382078
H 2.517283 -0.532692 -2.384721
H 3.747440 -1.561457 -1.614710
H 3.922304 0.421409 2.770057
H 4.084158 -1.287962 2.319629
H 5.434308 -0.137639 1.967413
H -2.768157 0.983581 0.304705
H -2.853091 -0.671001 1.013116
H -4.181180 0.211528 -1.633506
H -4.292214 -1.409095 -0.913181
H -6.359364 -0.140356 -0.559106
H -6.683767 -0.472192 1.872195
H -4.925807 -0.451804 2.166448
H -5.657440 -1.789643 1.231757
H -4.767606 1.933745 1.097939
H -6.525108 1.919726 0.804014
H -5.397428 2.203383 -0.554758


