%chk=000245438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245438

0 1
O 2.396631 0.126793 -0.440042
O -2.361148 0.187994 -0.316123
O 0.757430 2.811935 0.863884
O 1.097915 -0.063912 1.404383
O -1.784167 1.695995 1.271846
C 0.823054 1.849154 -0.161924
C -0.536112 1.569930 -0.818401
C 3.139524 -1.117675 -0.117265
C -3.438123 -0.370245 0.549760
C 1.409107 0.537501 0.406679
C -1.592790 1.192168 0.184902
C 2.287496 -2.292906 -0.562130
C 4.426692 -0.944115 -0.903372
C -4.354096 -1.033733 -0.462275
C -2.783645 -1.325578 1.528512
H 1.539491 2.301568 -0.896319
H -0.440853 0.790398 -1.607610
H -0.877034 2.488745 -1.351482
H 3.307074 -1.118582 0.983146
H -3.918804 0.491581 1.064177
H 2.828135 -3.241183 -0.463113
H 1.373679 -2.368755 0.044830
H 1.976325 -2.196484 -1.609585
H 5.096537 -1.800307 -0.764971
H 4.964047 -0.038472 -0.590676
H 4.232868 -0.839027 -1.979239
H -5.196552 -1.531493 0.032013
H -4.760585 -0.303952 -1.174366
H -3.820086 -1.789728 -1.054238
H -3.525204 -1.838971 2.150536
H -2.098401 -0.791186 2.206414
H -2.187224 -2.092019 1.017885
H 0.046018 2.580158 1.538463


%chk=000245438-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245438

0 1
O 2.571917 0.077344 -0.575336
O -2.682001 0.263493 -0.280366
O 0.924134 2.550880 0.370719
O 0.550019 -0.676528 0.318870
O -1.524530 1.604953 1.232604
C 0.700389 1.583258 -0.706503
C -0.792704 1.502289 -1.113416
C 3.279867 -1.176139 -0.101391
C -3.575696 -0.247542 0.836104
C 1.229767 0.202609 -0.269804
C -1.675476 1.132391 0.068798
C 3.038765 -2.292528 -1.126536
C 4.746030 -0.770814 0.055702
C -4.913024 -0.568607 0.168302
C -2.878061 -1.452717 1.479777
H 1.306076 1.941992 -1.553543
H -0.949836 0.785974 -1.935972
H -1.093547 2.506542 -1.467357
H 2.826663 -1.447256 0.870367
H -3.672558 0.575862 1.567665
H 3.572055 -3.208902 -0.813771
H 1.964431 -2.529456 -1.203667
H 3.416538 -1.994358 -2.120652
H 5.333053 -1.626598 0.435762
H 4.846491 0.067067 0.765940
H 5.171298 -0.458530 -0.914181
H -5.625093 -0.946466 0.924167
H -5.348032 0.330210 -0.301418
H -4.786193 -1.343500 -0.607887
H -3.490610 -1.832541 2.318032
H -1.885659 -1.170783 1.868034
H -2.746627 -2.264671 0.743273
H 0.189352 2.408670 1.041985


