%chk=000196657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196657

0 1
O -0.614091 -0.656436 -0.641000
O -1.848104 -0.101545 1.236885
O 2.599598 0.268195 -1.227744
O 1.431001 -2.379004 -1.410369
O 1.513786 1.630012 0.318001
O 3.666698 -2.775566 -0.144651
O -3.414052 -2.341492 -0.948089
O -4.709535 -0.821931 0.831532
O -3.665222 2.093430 -0.912679
O 5.584131 0.631504 -1.110546
O -0.808648 3.031962 1.706838
C 0.647005 -0.532471 0.046317
C 1.439686 -1.846184 -0.087713
C -1.726637 -1.049394 0.172826
C 2.929528 -1.645916 0.308158
C -2.939990 -1.012945 -0.791806
C -4.074567 -0.116647 -0.239207
C -3.604178 1.268911 0.258406
C 1.334706 0.636553 -0.698373
C 3.523199 -0.337446 -0.273374
C -2.150725 1.246450 0.779710
C 4.796967 -0.561312 -1.098037
C -1.868571 2.123766 2.005189
C 2.076832 2.878143 -0.150153
H 0.478617 -0.270369 1.120723
H 0.974759 -2.669226 0.504586
H -1.555105 -2.015077 0.683898
H 3.073287 -1.673342 1.413425
H -2.617129 -0.706288 -1.818260
H -4.890831 -0.002323 -0.996255
H -4.323891 1.653536 1.016970
H 0.779321 1.020404 -1.579121
H 3.694921 0.412316 0.533749
H -1.450794 1.503051 -0.056707
H 4.563582 -0.875402 -2.130661
H 5.461130 -1.310350 -0.615047
H -1.600615 1.502689 2.883692
H -2.707853 2.793202 2.270577
H 1.567117 -1.654368 -2.074111
H 3.281511 -3.114609 -1.004431
H -4.098813 -2.549986 -0.253717
H -4.106183 -0.869059 1.616040
H -3.506010 3.034437 -0.680114
H 1.326114 3.422426 -0.731145
H 2.982054 2.691780 -0.736924
H 2.317284 3.404214 0.782250
H 5.135385 1.323470 -1.641517
H 0.027725 2.530932 1.506878


%chk=000196657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196657

0 1
O -0.640780 -0.504739 -0.822353
O -1.721208 0.211757 1.202240
O 2.885215 0.235462 -1.192832
O 1.608683 -2.058288 -2.149333
O 1.513721 1.625045 0.238235
O 3.593470 -3.076083 -0.622443
O -3.359552 -2.375798 -0.785286
O -4.310157 -1.007540 1.501029
O -4.366736 1.947881 -0.696067
O 5.587536 0.704582 -0.540003
O -0.587129 3.026545 1.467100
C 0.729920 -0.594124 -0.287660
C 1.427713 -1.907133 -0.693593
C -1.663888 -0.829421 0.152815
C 2.833626 -1.986991 -0.014522
C -3.022739 -0.968622 -0.589757
C -4.137709 -0.271838 0.226801
C -3.863444 1.227186 0.483166
C 1.519686 0.627368 -0.812206
C 3.540816 -0.598944 -0.115302
C -2.341428 1.467046 0.666837
C 5.021862 -0.647508 -0.496779
C -1.960041 2.576062 1.645470
C 2.129410 2.915690 -0.150071
H 0.703636 -0.533498 0.819938
H 0.814131 -2.776274 -0.406536
H -1.415238 -1.754663 0.706020
H 2.726957 -2.253213 1.052688
H -2.941044 -0.525223 -1.595409
H -5.099572 -0.377295 -0.297377
H -4.425717 1.522122 1.395119
H 1.076723 1.027324 -1.744324
H 3.419679 -0.036908 0.830913
H -1.898514 1.673138 -0.328045
H 5.146933 -1.174239 -1.462771
H 5.593158 -1.194415 0.268633
H -2.138075 2.215893 2.682150
H -2.593566 3.467503 1.474384
H 2.091422 -1.245598 -2.468260
H 3.243078 -3.174126 -1.553363
H -3.800627 -2.678344 0.056036
H -3.518844 -0.794121 2.067522
H -4.347685 2.922782 -0.524975
H 1.707718 3.271804 -1.109470
H 3.224126 2.803697 -0.230520
H 1.868307 3.619744 0.652636
H 5.062363 1.216766 -1.207604
H 0.008206 2.252244 1.252027


