%chk=000276088.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276088

0 1
O -0.370231 1.873602 -0.711449
O -0.370140 -1.874324 0.710299
O -0.489648 0.148019 -2.173805
O -0.491324 -0.147444 2.170983
C -4.120906 2.321358 -0.296256
C -4.121413 -2.320386 0.296934
C -2.677115 1.847838 -0.039535
C -2.677527 -1.847705 0.039150
C -1.702197 2.352105 -1.094116
C -1.702056 -2.353137 1.092670
C -4.721156 1.638787 -1.530804
C -4.982665 2.039490 0.940988
C -4.720347 -1.637452 1.531915
C -4.983946 -2.038063 -0.939664
C 1.384386 0.350980 -0.623046
C 1.384019 -0.351194 0.621843
C 3.817297 0.346497 -0.619248
C 3.816931 -0.347234 0.619186
C 2.569830 0.692026 -1.228909
C 2.569103 -0.692525 1.228246
C 0.090108 0.714087 -1.279536
C 0.089344 -0.714089 1.277683
C 5.066450 0.687026 -1.229587
C 5.065725 -0.688016 1.230119
C 6.249068 0.347154 -0.622100
C 6.248701 -0.348379 0.623197
H -4.108825 3.426285 -0.472097
H -4.109838 -3.425318 0.472785
H -2.643408 0.730827 0.002354
H -2.335003 2.173604 0.964962
H -2.643152 -0.730685 -0.002163
H -2.336540 -2.173220 -0.965790
H -1.942224 2.004812 -2.114687
H -1.562172 3.446935 -1.075141
H -1.941707 -2.007114 2.113760
H -1.561967 -3.447946 1.072266
H -4.787983 0.543836 -1.396307
H -4.120328 1.816114 -2.428455
H -5.733433 2.002706 -1.734249
H -4.995772 0.962206 1.186381
H -6.020403 2.350789 0.784686
H -4.608396 2.569503 1.823231
H -4.787534 -0.542561 1.397092
H -4.118393 -1.814259 2.428925
H -5.732301 -2.001501 1.736701
H -4.996524 -0.960798 -1.185172
H -6.021778 -2.348622 -0.782492
H -4.610755 -2.568448 -1.822136
H 2.579415 1.228374 -2.180018
H 2.578132 -1.228931 2.179324
H 5.057216 1.218234 -2.181018
H 5.055932 -1.219225 2.181543
H 7.205393 0.601709 -1.078638
H 7.204756 -0.603126 1.080191


%chk=000276088-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276088

0 1
O -0.644278 1.344005 -0.445919
O -0.642586 -1.342039 0.445650
O 0.093313 0.799034 -2.588696
O 0.100844 -0.802370 2.587749
C -4.115002 2.989923 -0.333713
C -4.110743 -2.993868 0.339088
C -2.789296 2.322873 0.126176
C -2.786186 -2.325985 -0.122855
C -1.924067 1.835624 -1.036525
C -1.920434 -1.836201 1.038371
C -5.030457 2.009725 -1.108038
C -4.860149 3.577099 0.888011
C -5.026533 -2.013556 1.112948
C -4.856381 -3.583348 -0.881239
C 1.505006 0.313567 -0.652320
C 1.506807 -0.311203 0.648693
C 3.975480 0.285516 -0.671094
C 3.977247 -0.278215 0.663030
C 2.720588 0.574471 -1.293574
C 2.724077 -0.569715 1.287740
C 0.266935 0.794133 -1.345380
C 0.270961 -0.794230 1.343938
C 5.226615 0.557331 -1.315763
C 5.230082 -0.547516 1.305465
C 6.433009 0.283530 -0.666397
C 6.434759 -0.271295 0.653951
H -3.856749 3.830139 -1.013919
H -3.851072 -3.832926 1.020167
H -3.019521 1.470273 0.796557
H -2.201246 3.047845 0.721329
H -3.017972 -1.474504 -0.794113
H -2.197861 -3.051045 -0.717632
H -2.381623 1.002982 -1.600270
H -1.690219 2.647772 -1.750876
H -2.379031 -1.004022 1.601983
H -1.683807 -2.647220 1.753047
H -5.273425 1.129186 -0.480853
H -4.562644 1.645496 -2.040834
H -5.983169 2.498779 -1.382825
H -5.137962 2.774800 1.598839
H -5.789219 4.090478 0.578709
H -4.230921 4.306312 1.431301
H -5.270403 -1.133835 0.484968
H -4.558520 -1.648096 2.045164
H -5.978753 -2.503027 1.388689
H -5.135583 -2.782218 -1.592834
H -5.784657 -4.097270 -0.570475
H -4.226864 -4.312606 -1.424129
H 2.700509 1.032669 -2.288755
H 2.706591 -1.028021 2.282923
H 5.223208 0.983658 -2.325628
H 5.229322 -0.973858 2.315327
H 7.385806 0.492994 -1.164453
H 7.388871 -0.478822 1.150295


