%chk=000184222.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184222

0 1
O 1.077884 1.018548 1.552582
O -1.393941 -0.133624 2.791695
O -1.877327 2.980813 0.806860
O 4.746733 -0.206951 -1.032775
O -0.999404 2.483958 -1.710604
O -4.441070 -1.185574 -1.708047
O -4.417161 -2.860139 0.599097
C -1.126861 1.779174 0.567014
C -0.150172 1.784747 1.763054
C -2.020652 0.575435 0.527875
C -0.394122 1.961039 -0.796469
C 1.618361 0.970911 0.302981
C -0.762005 1.152458 3.012083
C 0.966558 1.451626 -0.862594
C 2.889543 0.410380 0.208964
C 3.805026 -0.188918 1.227837
C -2.106022 -0.289741 1.625359
C 5.031615 -0.622074 0.381637
C 3.504661 0.357553 -1.064710
C 1.636584 1.395014 -2.106468
C -2.812541 0.294216 -0.606221
C 2.908558 0.850309 -2.234030
C -2.917619 -1.439997 1.615571
C 5.263272 -2.115827 0.381335
C -3.623663 -0.828417 -0.643176
C -3.677007 -1.718163 0.480316
C 4.389912 -2.915170 -0.524946
C 6.192887 -2.648626 1.176937
C -4.309418 -0.412318 -2.925560
C -5.265713 -3.257223 -0.511103
H 0.188000 2.832519 1.965382
H 0.009066 0.887925 3.764469
H -1.534439 1.821356 3.443148
H 4.084550 0.539360 2.011200
H 3.332037 -1.043168 1.750866
H 5.948079 -0.041639 0.614130
H 1.117423 1.792249 -2.986936
H -2.768478 0.978436 -1.458180
H -2.486787 3.153410 0.044183
H 3.426725 0.802733 -3.186586
H -2.951030 -2.099127 2.482478
H 3.327913 -2.802376 -0.260074
H 4.495311 -2.573080 -1.567999
H 4.623330 -3.986865 -0.504744
H 6.384617 -3.710574 1.233001
H 6.833908 -2.077555 1.830427
H -3.285201 -0.465108 -3.306555
H -4.626978 0.620802 -2.755642
H -5.006588 -0.932334 -3.594205
H -4.653554 -3.452547 -1.397848
H -6.010540 -2.478803 -0.710713
H -5.726158 -4.172333 -0.121897


%chk=000184222-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184222

0 1
O 0.938806 1.042208 1.614906
O -1.465722 0.130315 2.973270
O -2.092299 3.126993 0.938470
O 4.570393 -0.277709 -1.093604
O -1.035558 2.952382 -1.558499
O -3.991877 -1.387129 -1.850076
O -4.079489 -3.014911 0.604557
C -1.196597 1.989176 0.663501
C -0.206964 1.966038 1.849488
C -1.953892 0.666391 0.588205
C -0.443815 2.264355 -0.660787
C 1.502643 1.046058 0.340477
C -0.906992 1.485253 3.115393
C 0.883096 1.672106 -0.793855
C 2.735990 0.400764 0.183675
C 3.601107 -0.337431 1.182807
C -2.060071 -0.165380 1.731158
C 4.829824 -0.805165 0.324207
C 3.354538 0.394096 -1.084298
C 1.558530 1.660536 -2.051555
C -2.607569 0.253915 -0.599291
C 2.796000 1.024618 -2.223980
C -2.779998 -1.373493 1.671098
C 5.040229 -2.306490 0.254182
C -3.335657 -0.948557 -0.677224
C -3.421636 -1.787371 0.485828
C 3.934507 -3.126098 -0.379499
C 6.178507 -2.848974 0.760035
C -3.905151 -0.520491 -3.025547
C -4.903673 -3.583540 -0.476551
H 0.193964 2.987616 1.997386
H -0.204790 1.414251 3.960342
H -1.720666 2.198734 3.347833
H 3.925172 0.315868 2.011939
H 3.069673 -1.192378 1.636522
H 5.760951 -0.305971 0.641173
H 1.061603 2.157657 -2.891216
H -2.532875 0.900309 -1.478884
H -2.318705 3.509858 0.042772
H 3.313978 1.005205 -3.185354
H -2.857400 -2.008931 2.556678
H 2.960811 -2.963596 0.121725
H 3.802842 -2.834430 -1.437894
H 4.162740 -4.203993 -0.341254
H 6.345068 -3.931711 0.764858
H 6.974389 -2.226866 1.187458
H -2.856013 -0.392401 -3.356842
H -4.353056 0.472983 -2.828442
H -4.480392 -1.038391 -3.807496
H -4.300739 -3.786586 -1.376251
H -5.736591 -2.910728 -0.740739
H -5.289072 -4.522264 -0.048406


