%chk=000001729.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001729

0 1
 O   -4.658200       1.216600     -0.8825000    
 O    3.990700      -1.643000     -0.1016000    
 O    5.178700      0.7478000      0.5287000    
 C  -0.9947000     -0.7256000     -0.2077000    
 C  -0.2797000      0.5608000      0.2711000    
 C   -2.311600      -1.010900      0.5750000    
 C   -3.218100      0.2235000      0.8159000    
 C    1.097000      0.8314000     -0.4585000    
 C   -1.263800       1.738200      0.1677000    
 C   -2.464300       1.526600       1.079200    
 C  -3.8899999E-02  -1.925300     -8.4899999E-02
 C   -3.225700      -1.965200     -0.2211000    
 C    1.956800     -0.4430000     -0.4525000    
 C    1.241100      -1.706500     -0.8778000    
 C   -4.027100      0.2487000     -0.4755000    
 C   -3.983400      -1.072900      -1.200800    
 C    1.827700       1.971700      0.3088000    
 C   -4.214400     -1.4500000E-02   1.966000    
 C   0.8941000       1.269700      -1.927800    
 C    3.297300       2.098100     -4.9699999E-02
 C    3.264000     -0.4695000     -0.1237000    
 C    4.001200      0.7885000      0.1754000    
 C    3.931500      -2.245200       1.176500    
 H   -1.242200     -0.6014000      -1.269600    
 H  -5.1500000E-02  0.4148000       1.338600    
 H   -2.047500      -1.468500       1.537200    
 H   -1.608500       1.865300     -0.8652000    
 H  -0.7854000       2.677500      0.4610000    
 H   -2.108900       1.538600       2.118400    
 H   -3.138800       2.386000      0.9760000    
 H  -0.5177000      -2.839900     -0.4503000    
 H   0.2084000      -2.100900      0.9703000    
 H   -3.933800      -2.457500      0.4563000    
 H   -2.690600      -2.761500     -0.7450000    
 H    1.001400      -1.634300      -1.946000    
 H    1.866500      -2.599800     -0.7783000    
 H   -4.991100      -1.449300      -1.390500    
 H   -3.435800     -0.9485000      -2.138900    
 H    1.755700       1.790300       1.390400    
 H    1.346400       2.938900      0.1240000    
 H   -4.860300      0.8601000       2.108800    
 H   -4.878300     -0.8649000       1.778500    
 H   -3.687800     -0.2007000       2.908500    
 H    1.847100       1.329300      -2.466200    
 H   0.2587000      0.5735000      -2.484200    
 H   0.4287000       2.259300      -1.991500    
 H    3.759300       2.856000      0.5928000    
 H    3.441400       2.402500      -1.090900    
 H    4.504200      -3.176700       1.140300    
 H    2.904300      -2.494100       1.464300    
 H    4.384800      -1.601900       1.938800    


%chk=000001729-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001729

0 1
O -4.660612 1.429443 -1.047305
O 3.886929 -1.793663 -0.077127
O 5.279873 0.663871 0.389633
C -1.100486 -0.741973 -0.175939
C -0.366181 0.537636 0.318486
C -2.464494 -0.981526 0.549198
C -3.342764 0.295842 0.739030
C 1.048741 0.770808 -0.360306
C -1.307136 1.761185 0.187560
C -2.564082 1.587270 1.063609
C -0.190869 -1.978294 0.004343
C -3.383394 -1.930255 -0.295790
C 1.870010 -0.528245 -0.308517
C 1.168646 -1.809109 -0.709746
C -4.119686 0.390402 -0.597038
C -4.138006 -0.990442 -1.271718
C 1.786170 1.888459 0.436336
C -4.422969 0.058122 1.842723
C 0.892776 1.194346 -1.857457
C 3.275224 2.010432 0.075226
C 3.218855 -0.551498 -0.000177
C 4.023654 0.687003 0.199851
C 4.805262 -2.155391 1.026060
H -1.305988 -0.615077 -1.262587
H -0.160522 0.387631 1.404457
H -2.244324 -1.428267 1.540084
H -1.616336 1.889567 -0.868591
H -0.791843 2.692564 0.485012
H -2.268804 1.572373 2.132805
H -3.246600 2.447251 0.921402
H -0.688276 -2.891221 -0.375528
H -0.015621 -2.137133 1.088719
H -4.098213 -2.459197 0.359857
H -2.802886 -2.703500 -0.827374
H 0.993520 -1.789619 -1.807593
H 1.833408 -2.665880 -0.514669
H -5.174585 -1.298331 -1.497303
H -3.622048 -0.900271 -2.247413
H 1.696173 1.665269 1.518785
H 1.292749 2.862499 0.264291
H -5.074752 0.945553 1.933729
H -5.064814 -0.815324 1.629524
H -3.925239 -0.113441 2.815267
H 1.878157 1.271623 -2.350007
H 0.296144 0.463166 -2.430876
H 0.393400 2.175992 -1.937521
H 3.790027 2.755054 0.708691
H 3.396983 2.358713 -0.971011
H 5.139597 -3.176636 0.785935
H 4.266273 -2.155394 1.994189
H 5.657858 -1.460183 1.064591


