%chk=000001772.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001772

0 1
 O   -2.091100       2.931300       1.012800    
 O   -1.629400       3.105100       2.377800    
 O   -6.917600      -1.346200      -2.463100    
 O   -5.758700      -2.228100     -0.7185000    
 C    4.274200       2.041200      -1.937000    
 C    3.637500       2.171500     -0.5482000    
 C   -3.575400       1.470900     -0.1895000    
 C   -4.268100      0.1059000     -0.2736000    
 C   -2.549100       1.580700      0.9488000    
 C    5.293800      0.9084000      -2.097900    
 C    2.583100       3.271500     -0.4049000    
 C   -5.333100      5.9799999E-02  -1.366400    
 C    4.696100     -0.4560000      -1.907100    
 C    1.951800       3.331400      0.9773000    
 C   -1.388200      0.6340000      0.7830000    
 C    5.056400      -1.287200     -0.9185000    
 C    4.464100      -2.648000     -0.6989000    
 C   -6.003700      -1.287800      -1.463100    
 C   -1.004100     -0.3133000       1.653200    
 C    3.739700      -2.731200      0.6131000    
 C   0.1393000      -1.167700       1.418900    
 C    1.711300      -3.054100       2.119600    
 C    2.432700      -2.971700      0.8051000    
 C   0.5385000      -2.120200       2.277100    
 H    3.476600       1.911900      -2.680200    
 H    4.771000       2.988400      -2.182100    
 H    4.433100       2.343900      0.1877000    
 H    3.168400       1.217400     -0.2777000    
 H   -4.333000       2.254200     -5.3500000E-02
 H   -3.089500       1.700200      -1.147300    
 H   -4.728600     -0.1279000      0.6946000    
 H   -3.524900     -0.6779000     -0.4639000    
 H   -3.081300       1.354800       1.883600    
 H    5.720700      0.9559000      -3.107000    
 H    6.124500       1.072200      -1.400600    
 H    1.791900       3.111100      -1.147000    
 H    3.039800       4.242000     -0.6317000    
 H   -6.106100      0.8088000      -1.162500    
 H   -4.873600      0.2791000      -2.336500    
 H    3.929000     -0.7616000      -2.613900    
 H    1.460800       2.384500       1.222300    
 H    1.202400       4.127700       1.018700    
 H    2.707700       3.533500       1.742600    
 H  -0.8139000      0.7681000     -0.1332000    
 H    5.827500     -0.9733000     -0.2182000    
 H    3.791200      -2.916000      -1.522600    
 H    5.272100      -3.388800     -0.7033000    
 H   -1.562100     -0.4529000       2.575000    
 H    4.356400      -2.574200       1.497300    
 H   0.6830000      -1.001400      0.4932000    
 H    2.407400      -2.872300       2.947300    
 H    1.343500      -4.080700       2.236500    
 H    1.823300      -3.155300     -7.9099998E-02
 H  -2.1700000E-02  -2.256900       3.201300    
 H  -0.6822000       3.023400       2.176100    
 H   -7.349100      -2.225600      -2.514100    


%chk=000001772-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001772

0 1
O -1.970184 2.799643 1.427282
O -1.327148 2.817886 2.805289
O -6.437458 -0.686774 -3.223609
O -5.798516 -1.907333 -1.355019
C 3.562396 1.876227 -2.158453
C 3.218462 2.107101 -0.670052
C -3.315388 1.543442 -0.086534
C -4.066947 0.236560 -0.424529
C -2.414038 1.382042 1.154382
C 4.732869 0.873220 -2.376835
C 2.025367 3.067690 -0.463653
C -4.940887 0.398845 -1.681957
C 4.372946 -0.546210 -1.987355
C 1.715455 3.334441 1.025153
C -1.221027 0.490291 0.944377
C 4.948296 -1.259367 -0.984839
C 4.541007 -2.667179 -0.572741
C -5.733028 -0.849584 -2.017740
C -0.789871 -0.434409 1.856167
C 3.920211 -2.683218 0.816121
C 0.392305 -1.275724 1.686511
C 2.028732 -3.092548 2.475284
C 2.661802 -3.107252 1.098903
C 0.801097 -2.205147 2.602297
H 2.661847 1.507780 -2.693159
H 3.828518 2.845807 -2.626953
H 4.110944 2.515847 -0.150503
H 2.998015 1.133940 -0.186057
H -4.037601 2.357802 0.115863
H -2.695001 1.863046 -0.947609
H -4.704013 -0.064877 0.428286
H -3.347174 -0.589094 -0.575902
H -3.009670 1.052500 2.028565
H 5.022316 0.898237 -3.447922
H 5.616017 1.208761 -1.797595
H 1.125600 2.646479 -0.957660
H 2.235283 4.030271 -0.973462
H -5.663108 1.230794 -1.559904
H -4.330163 0.664437 -2.566552
H 3.558203 -1.011545 -2.567104
H 1.503955 2.379304 1.548815
H 0.843128 4.005286 1.136033
H 2.577292 3.805736 1.533666
H -0.657347 0.645230 0.010531
H 5.752876 -0.793763 -0.393383
H 3.827549 -3.085719 -1.307400
H 5.438057 -3.322707 -0.579812
H -1.367047 -0.564932 2.785079
H 4.548258 -2.290252 1.631886
H 0.981001 -1.137799 0.768175
H 2.779762 -2.778078 3.231075
H 1.736310 -4.125503 2.764589
H 2.028145 -3.486797 0.282134
H 0.211232 -2.333254 3.524091
H -0.359284 2.708727 2.567720
H -6.956057 -1.515809 -3.412177


