%chk=000219623.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219623

0 1
O 2.958806 2.390599 0.421186
O -0.808634 0.176598 1.952578
O 2.165067 2.113085 -1.678353
C 1.251743 0.798498 0.209590
C -0.212371 1.028100 -0.199825
C 1.687901 -0.617976 -0.098862
C -1.175454 0.477726 0.835668
C 2.136338 1.804050 -0.510413
C 2.115727 -0.988414 -1.381611
C 1.630408 -1.577857 0.922857
C -2.601743 0.319450 0.416862
C 2.499975 -2.307975 -1.633741
C 2.014087 -2.895881 0.663763
C 2.452418 -3.262658 -0.612883
C -3.164579 1.050049 -0.639395
C -3.395555 -0.591710 1.132799
C -4.506648 0.863607 -0.980196
C -4.735446 -0.780720 0.785709
C -5.291144 -0.053362 -0.271346
C 3.923335 3.363230 -0.063749
H 1.345427 0.977544 1.323729
H -0.413376 2.112401 -0.337213
H -0.401444 0.565965 -1.193974
H 2.151536 -0.248349 -2.184513
H 1.271374 -1.295453 1.915516
H 2.836848 -2.591670 -2.629626
H 1.970263 -3.638269 1.459203
H 2.754133 -4.289071 -0.811672
H -2.567658 1.770795 -1.197620
H -2.953984 -1.146040 1.966073
H -4.942821 1.433195 -1.799585
H -5.345892 -1.491594 1.340931
H -6.336682 -0.198689 -0.542725
H 3.452069 4.046994 -0.777577
H 4.753828 2.824719 -0.530137
H 4.232450 3.875286 0.853552


%chk=000219623-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219623

0 1
O 3.158184 2.195904 0.493346
O -0.923930 -0.068332 1.943100
O 1.881065 2.452012 -1.435481
C 1.176665 0.845215 0.322305
C -0.289914 1.035239 -0.136680
C 1.713076 -0.554262 -0.028267
C -1.289817 0.357642 0.806836
C 2.064584 1.906973 -0.319990
C 1.971078 -0.911090 -1.377453
C 1.929844 -1.511614 0.992144
C -2.723108 0.240082 0.372117
C 2.440332 -2.203930 -1.698013
C 2.397665 -2.805876 0.670685
C 2.655690 -3.156238 -0.674545
C -3.199091 0.786132 -0.851063
C -3.634148 -0.435615 1.229749
C -4.558854 0.658713 -1.206612
C -4.989621 -0.566929 0.871714
C -5.456041 -0.019166 -0.348466
C 4.144239 3.152242 -0.067463
H 1.227212 0.966396 1.417710
H -0.540073 2.115598 -0.178566
H -0.415673 0.660801 -1.168055
H 1.815420 -0.173864 -2.175363
H 1.712409 -1.245154 2.031937
H 2.640350 -2.467528 -2.742904
H 2.556910 -3.539628 1.468903
H 3.019449 -4.159683 -0.922986
H -2.517530 1.314439 -1.525618
H -3.248682 -0.846207 2.168947
H -4.919147 1.084533 -2.149346
H -5.683720 -1.092380 1.536577
H -6.510781 -0.119991 -0.628021
H 3.655126 4.112091 -0.303637
H 4.593425 2.737735 -0.985689
H 4.897709 3.271942 0.723148


