%chk=000122287.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122287

0 1
 O    3.452500     -0.6919000      0.8636000    
 O    3.078900      6.3299999E-02  -1.283200    
 C   -3.250800     -0.4072000     -0.7190000    
 C   -2.719400      0.8865000     -0.1383000    
 C   -1.129600       2.895000     -0.1509000    
 C   -3.164000      -1.599700      0.2428000    
 C   3.2000002E-02   2.666000      0.8203000    
 C   -1.686900       1.589100     -0.6444000    
 C    1.181500       1.930900      0.1663000    
 C   -3.461200       1.401000       1.068600    
 C   -1.754100      -1.890100      0.6770000    
 C  -0.8215000      -2.622200      3.8899999E-02
 C    1.736100       2.603000      -1.065000    
 C    1.700900      0.7573000      0.5725000    
 C   0.5748000      -2.872500      0.5327000    
 C   -1.132300      -3.257400      -1.290300    
 C    2.807600      2.9300001E-02 -9.4999999E-02
 C    4.555400      -1.480200      0.4033000    
 H   -4.299900     -0.2574000      -1.003600    
 H   -2.718500     -0.6452000      -1.648500    
 H  -0.8106000       3.483400      -1.020000    
 H   -1.891900       3.515700      0.3287000    
 H   -3.613100      -2.481900     -0.2276000    
 H   -3.774900      -1.421100       1.136000    
 H   0.3944000       3.635000       1.185100    
 H  -0.3205000       2.114700       1.701300    
 H   -1.188900       1.181200      -1.523200    
 H   -3.137300       2.375800       1.434500    
 H   -3.349000      0.7076000       1.908300    
 H   -4.528800       1.487600      0.8385000    
 H   -1.470800      -1.439100       1.627400    
 H    2.818500       2.478500      -1.165000    
 H    1.581100       3.687100      -1.014500    
 H    1.243100       2.231200      -1.968600    
 H    1.303800      0.2934000       1.472300    
 H   0.7304000      -3.942500      0.7039000    
 H   0.7698000      -2.350800       1.475000    
 H    1.307600      -2.529100     -0.2033000    
 H   -2.127300      -3.037900      -1.681800    
 H  -0.4133000      -2.913900      -2.042300    
 H   -1.046200      -4.346500      -1.210400    
 H    4.212300      -2.222000     -0.3242000    
 H    5.324800     -0.8366000     -3.3399999E-02
 H    4.981500      -2.003300       1.263500    


%chk=000122287-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122287

0 1
O 3.178490 -0.814217 0.508003
O 3.820558 0.952029 -0.873587
C -3.049073 -0.149545 -1.105499
C -2.684841 1.062007 -0.251016
C -1.145634 3.104536 0.125119
C -2.916494 -1.526248 -0.381770
C 0.087265 2.834698 1.056058
C -1.635248 1.864767 -0.597465
C 1.328230 2.356183 0.317886
C -3.569705 1.293993 0.962435
C -1.478360 -1.889711 -0.055076
C -0.929718 -3.138810 -0.016058
C 1.927311 3.318547 -0.685731
C 1.825766 1.105814 0.585890
C 0.538215 -3.344910 0.325164
C -1.700810 -4.419616 -0.290166
C 3.017318 0.486284 -0.021905
C 4.342929 -1.566336 -0.007154
H -4.103677 -0.044132 -1.438430
H -2.421660 -0.166609 -2.017039
H -0.870313 3.881128 -0.615061
H -1.945381 3.541526 0.751146
H -3.376682 -2.300457 -1.024842
H -3.528208 -1.502815 0.545492
H 0.330427 3.785030 1.576985
H -0.207768 2.097933 1.825313
H -1.056181 1.579216 -1.489253
H -3.375880 2.259735 1.457422
H -3.422429 0.499354 1.720007
H -4.639498 1.264105 0.676513
H -0.824172 -1.033840 0.173078
H 2.925825 2.998251 -1.016075
H 1.979735 4.337369 -0.256636
H 1.281098 3.388102 -1.583743
H 1.318643 0.473872 1.323626
H 0.649396 -3.966848 1.236898
H 1.069498 -2.392255 0.491635
H 1.058302 -3.888704 -0.490074
H -2.750122 -4.241412 -0.576633
H -1.216335 -5.001865 -1.099407
H -1.703675 -5.071475 0.606728
H 4.305250 -1.631819 -1.107826
H 5.281686 -1.067647 0.289303
H 4.262120 -2.561111 0.453746


