3-Cyanoindene / FC simulation ion ground state<BR>E I<BR>8.57315 0.0024<BR>8.58183 0.00658<BR>8.58927 0.02002<BR>8.60414 0.08445<BR>8.6091 0.09888<BR>8.62274 0.08532<BR>8.62646 0.09574<BR>8.62894 0.11732<BR>8.63142 0.15674<BR>8.6339 0.22069<BR>8.63638 0.31685<BR>8.6401 0.53687<BR>8.64382 0.85915<BR>8.65746 2.467<BR>8.65994 2.79072<BR>8.66242 3.20777<BR>8.6649 3.82838<BR>8.66738 4.81184<BR>8.66986 6.36309<BR>8.67233 8.72792<BR>8.67481 12.1788<BR>8.67853 19.9773<BR>8.68225 31.5023<BR>8.68597 46.7246<BR>8.69341 81.6415<BR>8.69589 91.0696<BR>8.69837 97.4802<BR>8.70085 100.0<BR>8.70333 98.2318<BR>8.70705 88.106<BR>8.71697 41.8584<BR>8.72193 24.2759<BR>8.72441 18.6107<BR>8.72689 14.9123<BR>8.72937 12.914<BR>8.73185 12.3059<BR>8.73433 12.7794<BR>8.73681 14.0428<BR>8.74673 21.9612<BR>8.75168 25.1542<BR>8.7554 26.8333<BR>8.7616 29.0121<BR>8.76532 30.5289<BR>8.77648 36.7087<BR>8.77896 37.4977<BR>8.78144 37.5712<BR>8.78392 36.7689<BR>8.78764 33.8952<BR>8.79756 21.4125<BR>8.80128 17.5759<BR>8.805 15.0438<BR>8.80748 14.085<BR>8.80996 13.6397<BR>8.81244 13.6206<BR>8.81616 14.174<BR>8.82484 16.4416<BR>8.82855 17.1939<BR>8.83227 17.6834<BR>8.83847 18.2248<BR>8.84219 18.6555<BR>8.84591 19.3377<BR>8.84839 19.9912<BR>8.85211 21.3659<BR>8.85583 23.3109<BR>8.86699 31.4665<BR>8.86947 32.9964<BR>8.87195 34.0992<BR>8.87443 34.6782<BR>8.87691 34.7015<BR>8.88063 33.794<BR>8.88931 29.6124<BR>8.89303 28.1893<BR>8.89675 27.3773<BR>8.90171 26.8517<BR>8.90419 26.5066<BR>8.9079 25.5066<BR>8.91162 23.792<BR>8.92154 17.9121<BR>8.92526 16.3405<BR>8.92898 15.3662<BR>8.93146 15.0106<BR>8.93394 14.8495<BR>8.93642 14.8509<BR>8.94014 15.0984<BR>8.94882 16.2333<BR>8.9513 16.4894<BR>8.95378 16.6264<BR>8.95626 16.6154<BR>8.95874 16.4456<BR>8.96246 15.9205<BR>8.97238 13.7851<BR>8.97734 12.9082<BR>8.98106 12.4482<BR>8.98725 11.8296<BR>8.98973 11.5359<BR>8.99345 10.9891<BR>9.00337 9.2876<BR>9.00709 8.79576<BR>9.01081 8.44692<BR>9.01329 8.28913<BR>9.01577 8.1846<BR>9.01825 8.12795<BR>9.02197 8.12282<BR>9.02445 8.16552<BR>9.02693 8.23716<BR>9.03561 8.57968<BR>9.03933 8.70369<BR>9.04305 8.7837<BR>9.04553 8.80583<BR>9.04925 8.78505<BR>9.05173 8.73478<BR>9.05421 8.65995<BR>9.06041 8.43054<BR>9.06412 8.32196<BR>9.0666 8.2755<BR>9.0728 8.20354<BR>9.07652 8.11468<BR>9.08024 7.92843<BR>9.08396 7.62358<BR>9.09636 6.15175<BR>9.10132 5.66839<BR>9.10628 5.3225<BR>9.12612 4.16993<BR>9.13232 3.88559<BR>9.141 3.57792<BR>9.14719 3.40826<BR>9.15835 3.19036<BR>9.16331 3.06542<BR>9.16827 2.89945<BR>9.17943 2.47344<BR>9.18563 2.28778<BR>9.20423 1.88506<BR>9.20919 1.79472<BR>9.21415 1.72309<BR>9.22034 1.65179<BR>9.22902 1.56721<BR>9.24638 1.43822<BR>9.25382 1.36835<BR>9.26994 1.15305<BR>9.28606 0.97729<BR>9.30093 0.77284<BR>9.30837 0.68945<BR>9.31581 0.62926<BR>