12 C2H4...C2F4 at 5 A separation, Section IIIB1 C -2.500000 0.000000 0.655500 C -2.500000 0.000000 -0.655500 F -2.500000 1.096100 1.389300 F -2.500000 -1.096100 1.389300 F -2.500000 -1.096100 -1.389300 F -2.500000 1.096100 -1.389300 C 2.500000 0.000000 0.655500 C 2.500000 0.000000 -0.655500 H 2.500000 0.928900 1.232100 H 2.500000 -0.928900 1.232100 H 2.500000 0.928900 -1.232100 H 2.500000 -0.928900 -1.232100 12 C2H4...C2F4 at 6 A separation, Section IIIC1 C 0.000000 0.000000 0.663572 C 0.000000 0.000000 -0.663572 H 0.000000 0.924760 1.235546 H 0.000000 -0.924760 1.235546 H 0.000000 0.924760 -1.235546 H 0.000000 -0.924760 -1.235546 C 6.000000 0.000000 0.663572 C 6.000000 0.000000 -0.663572 F 6.000000 1.104979 1.381725 F 6.000000 -1.104979 1.381725 F 6.000000 -1.104979 -1.381725 F 6.000000 1.104979 -1.381725 36 (naphthalene)2 at 5 A separation, Section IIIB1 C 2.423247 0.705674 -2.500000 C 1.239335 1.396987 -2.500000 C 0.000000 0.713185 -2.500000 C 0.000000 -0.713185 -2.500000 C 1.239335 -1.396987 -2.500000 C 2.423247 -0.705674 -2.500000 C -1.239335 1.396987 -2.500000 C -1.239335 -1.396987 -2.500000 C -2.423247 -0.705674 -2.500000 C -2.423247 0.705674 -2.500000 H -1.237376 2.476742 -2.500000 H 3.361100 1.238312 -2.500000 H 1.237376 2.476742 -2.500000 H 1.237376 -2.476742 -2.500000 H 3.361100 -1.238312 -2.500000 H -1.237376 -2.476742 -2.500000 H -3.361100 -1.238312 -2.500000 H -3.361100 1.238312 -2.500000 C 2.423247 0.705674 2.500000 C 1.239335 1.396987 2.500000 C 0.000000 0.713185 2.500000 C 0.000000 -0.713185 2.500000 C 1.239335 -1.396987 2.500000 C 2.423247 -0.705674 2.500000 C -1.239335 1.396987 2.500000 C -1.239335 -1.396987 2.500000 C -2.423247 -0.705674 2.500000 C -2.423247 0.705674 2.500000 H -1.237376 2.476742 2.500000 H 3.361100 1.238312 2.500000 H 1.237376 2.476742 2.500000 H 1.237376 -2.476742 2.500000 H 3.361100 -1.238312 2.500000 H -1.237376 -2.476742 2.500000 H -3.361100 -1.238312 2.500000 H -3.361100 1.238312 2.500000 36 (naphthalene)_2 at 6 A separation, Section IIIC1 C 2.426199 0.708611 6.000000 C 1.243538 1.397961 6.000000 C 0.000000 0.709528 6.000000 C 0.000000 -0.709528 6.000000 C 1.243538 -1.397961 6.000000 C 2.426199 -0.708611 6.000000 C -1.243538 1.397961 6.000000 C -1.243538 -1.397961 6.000000 C -2.426199 -0.708611 6.000000 C -2.426199 0.708611 6.000000 H -1.238199 2.486180 6.000000 H 3.371302 1.245398 6.000000 H 1.238199 2.486180 6.000000 H 1.238199 -2.486180 6.000000 H 3.371302 -1.245398 6.000000 H -1.238199 -2.486180 6.000000 H -3.371302 -1.245398 6.000000 H -3.371302 1.245398 6.000000 C 2.426199 0.708611 0.000000 C 1.243538 1.397961 0.000000 C 0.000000 0.709528 0.000000 C 0.000000 -0.709528 0.000000 C 1.243538 -1.397961 0.000000 C 2.426199 -0.708611 0.000000 C -1.243538 1.397961 0.000000 C -1.243538 -1.397961 0.000000 C -2.426199 -0.708611 0.000000 C -2.426199 0.708611 0.000000 H -1.238199 2.486180 0.000000 H 3.371302 1.245398 0.000000 H 1.238199 2.486180 0.000000 H 1.238199 -2.486180 0.000000 H 3.371302 -1.245398 0.000000 H -1.238199 -2.486180 0.000000 H -3.371302 -1.245398 0.000000 H -3.371302 1.245398 0.000000 80 (PDI)2 model 1, "MO" C 1.4374952988 0.0000000000 0.0000000000 C 0.7356340665 1.2529519211 0.0000000000 C -0.7356340665 1.2529519211 0.0000000000 C -1.4374952988 0.0000000000 0.0000000000 C -0.7356340665 -1.2529519211 0.0000000000 C 0.7356340665 -1.2529519211 0.0000000000 C 1.4869627878 2.4445732012 0.0000000000 C 1.4869627878 -2.4445732012 0.0000000000 C 2.8928332792 2.4398394389 0.0000000000 C 2.8928332792 -2.4398394389 0.0000000000 C 3.5899345550 1.2322150009 0.0000000000 C 3.5899345550 -1.2322150009 0.0000000000 C 2.8778864501 0.0000000000 0.0000000000 C 5.0806842011 1.2573724651 0.0000000000 C 5.0806842011 -1.2573724651 0.0000000000 C -1.4869627878 2.4445732012 0.0000000000 C -1.4869627878 -2.4445732012 0.0000000000 C -2.8928332792 2.4398394389 0.0000000000 C -2.8928332792 -2.4398394389 0.0000000000 C -3.5899345550 1.2322150009 0.0000000000 C -3.5899345550 -1.2322150009 0.0000000000 C -2.8778864501 0.0000000000 0.0000000000 C -5.0806842011 1.2573724651 0.0000000000 C -5.0806842011 -1.2573724651 0.0000000000 N 5.6890548239 0.0000000000 0.0000000000 N -5.6890548239 0.0000000000 0.0000000000 O 5.7452519432 2.2854311801 0.0000000000 O 5.7452519432 -2.2854311801 0.0000000000 O -5.7452519432 2.2854311801 0.0000000000 O -5.7452519432 -2.2854311801 0.0000000000 H 0.9768640572 3.4113461513 0.0000000000 H 0.9768640572 -3.4113461513 0.0000000000 H 3.4609965240 3.3749439414 0.0000000000 H 3.4609965240 -3.3749439414 0.0000000000 H 6.7099317300 0.0000000000 0.0000000000 H -0.9768640572 3.4113461513 0.0000000000 H -0.9768640572 -3.4113461513 0.0000000000 H -3.4609965240 3.3749439414 0.0000000000 H -3.4609965240 -3.3749439414 0.0000000000 H -6.7099317300 0.0000000000 0.0000000000 C 4.0874952988 0.3000000000 3.4600000000 C 3.3856340665 1.5529519211 3.4600000000 C 1.9143659335 1.5529519211 3.4600000000 C 1.2125047012 0.3000000000 3.4600000000 C 1.9143659335 -0.9529519211 3.4600000000 C 3.3856340665 -0.9529519211 3.4600000000 C 4.1369627878 2.7445732012 3.4600000000 C 4.1369627878 -2.1445732012 3.4600000000 C 5.5428332792 2.7398394389 3.4600000000 C 5.5428332792 -2.1398394389 3.4600000000 C 6.2399345550 1.5322150009 3.4600000000 C 6.2399345550 -0.9322150009 3.4600000000 C 5.5278864501 0.3000000000 3.4600000000 C 7.7306842011 1.5573724651 3.4600000000 C 7.7306842011 -0.9573724651 3.4600000000 C 1.1630372122 2.7445732012 3.4600000000 C 1.1630372122 -2.1445732012 3.4600000000 C -0.2428332792 2.7398394389 3.4600000000 C -0.2428332792 -2.1398394389 3.4600000000 C -0.9399345550 1.5322150009 3.4600000000 C -0.9399345550 -0.9322150009 3.4600000000 C -0.2278864501 0.3000000000 3.4600000000 C -2.4306842011 1.5573724651 3.4600000000 C -2.4306842011 -0.9573724651 3.4600000000 N 8.3390548239 0.3000000000 3.4600000000 N -3.0390548239 0.3000000000 3.4600000000 O 8.3952519432 2.5854311801 3.4600000000 O 8.3952519432 -1.9854311801 3.4600000000 O -3.0952519432 2.5854311801 3.4600000000 O -3.0952519432 -1.9854311801 3.4600000000 H 3.6268640572 3.7113461513 3.4600000000 H 3.6268640572 -3.1113461513 3.4600000000 H 6.1109965240 3.6749439414 3.4600000000 H 6.1109965240 -3.0749439414 3.4600000000 H 9.3599317300 0.3000000000 3.4600000000 H 1.6731359428 3.7113461513 3.4600000000 H 1.6731359428 -3.1113461513 3.4600000000 H -0.8109965240 3.6749439414 3.4600000000 H -0.8109965240 -3.0749439414 3.4600000000 H -4.0599317300 0.3000000000 3.4600000000 80 (PDI)2 model 2, "C8" C 1.4374952988 0.0000000000 0.0000000000 C 0.7356340665 1.2529519211 0.0000000000 C -0.7356340665 1.2529519211 0.0000000000 C -1.4374952988 0.0000000000 0.0000000000 C -0.7356340665 -1.2529519211 0.0000000000 C 0.7356340665 -1.2529519211 0.0000000000 C 1.4869627878 2.4445732012 0.0000000000 C 1.4869627878 -2.4445732012 0.0000000000 C 2.8928332792 2.4398394389 0.0000000000 C 2.8928332792 -2.4398394389 0.0000000000 C 3.5899345550 1.2322150009 0.0000000000 C 3.5899345550 -1.2322150009 0.0000000000 C 2.8778864501 0.0000000000 0.0000000000 C 5.0806842011 1.2573724651 0.0000000000 C 5.0806842011 -1.2573724651 0.0000000000 C -1.4869627878 2.4445732012 0.0000000000 C -1.4869627878 -2.4445732012 0.0000000000 C -2.8928332792 2.4398394389 0.0000000000 C -2.8928332792 -2.4398394389 0.0000000000 C -3.5899345550 1.2322150009 0.0000000000 C -3.5899345550 -1.2322150009 0.0000000000 C -2.8778864501 0.0000000000 0.0000000000 C -5.0806842011 1.2573724651 0.0000000000 C -5.0806842011 -1.2573724651 0.0000000000 N 5.6890548239 0.0000000000 0.0000000000 N -5.6890548239 0.0000000000 0.0000000000 O 5.7452519432 2.2854311801 0.0000000000 O 5.7452519432 -2.2854311801 0.0000000000 O -5.7452519432 2.2854311801 0.0000000000 O -5.7452519432 -2.2854311801 0.0000000000 H 0.9768640572 3.4113461513 0.0000000000 H 0.9768640572 -3.4113461513 0.0000000000 H 3.4609965240 3.3749439414 0.0000000000 H 3.4609965240 -3.3749439414 0.0000000000 H 6.7099317300 0.0000000000 0.0000000000 H -0.9768640572 3.4113461513 0.0000000000 H -0.9768640572 -3.4113461513 0.0000000000 H -3.4609965240 3.3749439414 0.0000000000 H -3.4609965240 -3.3749439414 0.0000000000 H -6.7099317300 0.0000000000 0.0000000000 C 4.4844952988 1.1187000000 3.2800000000 C 3.7826340665 2.3716519211 3.2800000000 C 2.3113659335 2.3716519211 3.2800000000 C 1.6095047012 1.1187000000 3.2800000000 C 2.3113659335 -0.1342519211 3.2800000000 C 3.7826340665 -0.1342519211 3.2800000000 C 4.5339627878 3.5632732012 3.2800000000 C 4.5339627878 -1.3258732012 3.2800000000 C 5.9398332792 3.5585394389 3.2800000000 C 5.9398332792 -1.3211394389 3.2800000000 C 6.6369345550 2.3509150009 3.2800000000 C 6.6369345550 -0.1135150009 3.2800000000 C 5.9248864501 1.1187000000 3.2800000000 C 8.1276842011 2.3760724651 3.2800000000 C 8.1276842011 -0.1386724651 3.2800000000 C 1.5600372122 3.5632732012 3.2800000000 C 1.5600372122 -1.3258732012 3.2800000000 C 0.1541667208 3.5585394389 3.2800000000 C 0.1541667208 -1.3211394389 3.2800000000 C -0.5429345550 2.3509150009 3.2800000000 C -0.5429345550 -0.1135150009 3.2800000000 C 0.1691135499 1.1187000000 3.2800000000 C -2.0336842011 2.3760724651 3.2800000000 C -2.0336842011 -0.1386724651 3.2800000000 N 8.7360548239 1.1187000000 3.2800000000 N -2.6420548239 1.1187000000 3.2800000000 O 8.7922519432 3.4041311801 3.2800000000 O 8.7922519432 -1.1667311801 3.2800000000 O -2.6982519432 3.4041311801 3.2800000000 O -2.6982519432 -1.1667311801 3.2800000000 H 4.0238640572 4.5300461513 3.2800000000 H 4.0238640572 -2.2926461513 3.2800000000 H 6.5079965240 4.4936439414 3.2800000000 H 6.5079965240 -2.2562439414 3.2800000000 H 9.7569317300 1.1187000000 3.2800000000 H 2.0701359428 4.5300461513 3.2800000000 H 2.0701359428 -2.2926461513 3.2800000000 H -0.4139965240 4.4936439414 3.2800000000 H -0.4139965240 -2.2562439414 3.2800000000 H -3.6629317300 1.1187000000 3.2800000000 158 Full intramolecular singlet fission chromophore C -2.77280 -0.38740 -0.06160 H -1.00540 -1.85720 1.49800 C -3.98360 -0.33960 -0.04800 C -5.40820 -0.24730 -0.02420 C -6.19560 -1.36650 -0.38510 C -7.63560 -1.26320 -0.36430 C -8.24320 -0.04390 0.01770 C -7.45670 1.07560 0.38030 C -6.01710 0.97200 0.36020 C -8.40410 -2.39010 -0.72820 C -7.81370 -3.58370 -1.10090 C -6.37300 -3.68790 -1.12150 C -5.60770 -2.59160 -0.76810 C -5.78040 -4.93780 -1.51290 C -6.55540 -5.99910 -1.85610 C -7.98750 -5.89550 -1.83480 C -8.59140 -4.73420 -1.47170 C -5.25080 2.09960 0.72820 C -5.84210 3.29220 1.10290 C -7.28260 3.39530 1.12100 C -8.04610 2.29900 0.76470 C -7.87890 4.64300 1.51330 C -7.10580 5.70430 1.86060 C -5.67340 5.60240 1.84320 C -5.06690 4.44270 1.47900 C -9.66450 0.05990 0.04250 H -9.48780 -2.30830 -0.71200 H -4.52380 -2.66500 -0.78240 H -4.69610 -5.01000 -1.52710 H -6.09750 -6.93820 -2.15100 H -8.58420 -6.75860 -2.11300 H -9.67470 -4.64900 -1.45310 H -4.16750 2.01860 0.71410 H -9.13010 2.37180 0.78030 H -8.96380 4.71220 1.52390 H -7.56530 6.64250 2.15620 H -5.07860 6.46550 2.12530 H -3.98340 4.35920 1.46410 C -10.88030 0.15300 0.06750 Si -12.71770 0.31210 0.14370 C -13.47840 -0.31900 -1.48380 C -12.52500 -0.21290 -2.68070 C -14.80840 0.38710 -1.78970 C -13.29730 -0.74380 1.60830 C -12.80520 -2.19110 1.49280 C -14.82160 -0.69620 1.76990 C -13.09180 2.15000 0.42990 C -12.65300 2.59100 1.83190 C -12.42970 3.03090 -0.63770 H -13.69580 -1.38530 -1.32070 H -12.99610 -0.61160 -3.58750 H -11.59300 -0.75930 -2.50900 H -12.25580 0.83040 -2.88280 H -15.27810 -0.04330 -2.68230 H -14.65100 1.45390 -1.98730 H -15.52650 0.30840 -0.96590 H -12.83710 -0.30160 2.50320 H -11.71420 -2.24160 1.41470 H -13.22880 -2.68420 0.60910 H -13.10940 -2.77880 2.36740 H -15.32000 -1.15470 0.90690 H -15.19790 0.32910 1.86750 H -15.14000 -1.25290 2.65950 H -14.18230 2.27340 0.35150 H -13.19850 2.06370 2.62160 H -12.82100 3.66580 1.97280 H -11.58270 2.40140 1.98480 H -12.77510 2.78990 -1.64880 H -11.34020 2.90550 -0.62530 C -0.76430 -0.15330 -1.49210 H -1.27530 0.70590 -1.93670 H -1.00460 -1.02430 -2.11180 H -1.01750 1.68940 0.40590 H -1.27940 0.67400 1.82210 H -1.25880 -2.56810 -0.09250 H -12.64580 4.09100 -0.45710 C -0.76970 0.72010 0.85470 C -1.30940 -0.39760 -0.06610 C -0.75810 -1.75070 0.43600 C 0.75680 0.56250 1.02700 C 1.30880 -0.38400 -0.06380 C 0.77130 -1.80560 0.21280 C 0.76220 0.08230 -1.43220 H 1.00170 0.14330 2.00920 C 2.77190 -0.36400 -0.05850 H 1.27740 -2.22370 1.08880 H 1.27330 -0.45850 -2.23420 H 1.00140 1.14440 -1.55950 C 3.98280 -0.31890 -0.04580 C 5.40820 -0.23990 -0.02480 C 6.04210 0.97890 -0.36700 C 7.48240 1.06850 -0.33340 C 8.24420 -0.06330 0.04390 C 7.61160 -1.28210 0.38480 C 6.17120 -1.37300 0.34590 C 8.09770 2.29110 -0.67800 C 7.35720 3.40150 -1.03980 C 5.91590 3.31270 -1.07520 C 5.30020 2.11990 -0.74310 C 5.16580 4.47770 -1.45770 C 5.79580 5.63820 -1.77650 C 7.22860 5.72680 -1.73800 C 7.97860 4.65100 -1.38430 C 5.55820 -2.59930 0.68310 C 6.29970 -3.70770 1.04920 C 7.74060 -3.61430 1.09370 C 8.35540 -2.42020 0.76460 C 8.49280 -4.77660 1.48000 C 7.86530 -5.93950 1.79480 C 6.43320 -6.03310 1.74850 C 5.68170 -4.95990 1.39030 C 9.66600 0.02990 0.07480 H 9.18250 2.35180 -0.65800 H 4.21650 2.04880 -0.77040 H 4.08170 4.40480 -1.48450 H 5.21950 6.51230 -2.06310 H 7.70760 6.66650 -1.99490 H 9.06350 4.71040 -1.35130 H 4.47410 -2.66470 0.64940 H 9.43930 -2.34660 0.79530 H 9.57640 -4.69930 1.51260 H 8.44330 -6.81160 2.08420 H 5.95590 -6.97420 2.00340 H 4.59740 -5.02440 1.35340 C 10.88200 0.12300 0.09530 Si 12.72240 0.25590 0.06100 C 13.23220 2.04050 0.49320 C 12.13530 3.07020 0.19260 C 14.54650 2.42870 -0.20030 C 13.39830 -0.96790 1.34180 C 12.79090 -0.73670 2.73000 C 14.93030 -0.92260 1.39840 C 13.27270 -0.21830 -1.69210 C 13.04610 -1.71240 -1.95260 C 12.55070 0.62590 -2.75040 H 13.41050 2.04990 1.57880 H 11.22210 2.86120 0.75830 H 11.87080 3.07010 -0.87250 H 12.47130 4.08300 0.44730 H 14.41840 2.48070 -1.28780 H 15.35290 1.71440 -0.00010 H 14.88600 3.41570 0.13590 H 13.09160 -1.96730 1.00060 H 13.16440 -1.47630 3.44850 H 11.69840 -0.80340 2.70860 H 13.05640 0.25400 3.11860 H 15.38770 -1.09720 0.41720 H 15.32240 -1.67970 2.08800 H 15.27770 0.05320 1.75980 H 14.35150 -0.01130 -1.75990 H 11.99290 -1.97930 -1.79910 H 13.65210 -2.34210 -1.29250 H 13.30310 -1.97150 -2.98680 H 11.46630 0.47640 -2.69130 H 12.87180 0.34370 -3.76040 H 12.74500 1.69720 -2.62840 H 1.26070 1.53160 0.95850 H 1.02220 -2.44590 -0.64030 86 Singlet fission chromophore, no linker and no side chains [Fig. 7(b)] C -2.77280 -0.38740 -0.06160 H -1.77964 -0.42661 -0.07276 H -13.06673 1.32779 1.07265 H -13.28296 -0.92288 0.55807 H -13.21690 0.65378 -1.14100 C -3.98360 -0.33960 -0.04800 C -5.40820 -0.24730 -0.02420 C -6.19560 -1.36650 -0.38510 C -7.63560 -1.26320 -0.36430 C -8.24320 -0.04390 0.01770 C -7.45670 1.07560 0.38030 C -6.01710 0.97200 0.36020 C -8.40410 -2.39010 -0.72820 C -7.81370 -3.58370 -1.10090 C -6.37300 -3.68790 -1.12150 C -5.60770 -2.59160 -0.76810 C -5.78040 -4.93780 -1.51290 C -6.55540 -5.99910 -1.85610 C -7.98750 -5.89550 -1.83480 C -8.59140 -4.73420 -1.47170 C -5.25080 2.09960 0.72820 C -5.84210 3.29220 1.10290 C -7.28260 3.39530 1.12100 C -8.04610 2.29900 0.76470 C -7.87890 4.64300 1.51330 C -7.10580 5.70430 1.86060 C -5.67340 5.60240 1.84320 C -5.06690 4.44270 1.47900 C -9.66450 0.05990 0.04250 H -9.48780 -2.30830 -0.71200 H -4.52380 -2.66500 -0.78240 H -4.69610 -5.01000 -1.52710 H -6.09750 -6.93820 -2.15100 H -8.58420 -6.75860 -2.11300 H -9.67470 -4.64900 -1.45310 H -4.16750 2.01860 0.71410 H -9.13010 2.37180 0.78030 H -8.96380 4.71220 1.52390 H -7.56530 6.64250 2.15620 H -5.07860 6.46550 2.12530 H -3.98340 4.35920 1.46410 C -10.88030 0.15300 0.06750 Si -12.71770 0.31210 0.14370 C 2.77190 -0.36400 -0.05850 C 3.98280 -0.31890 -0.04580 C 5.40820 -0.23990 -0.02480 C 6.04210 0.97890 -0.36700 C 7.48240 1.06850 -0.33340 C 8.24420 -0.06330 0.04390 C 7.61160 -1.28210 0.38480 C 6.17120 -1.37300 0.34590 C 8.09770 2.29110 -0.67800 C 7.35720 3.40150 -1.03980 C 5.91590 3.31270 -1.07520 C 5.30020 2.11990 -0.74310 C 5.16580 4.47770 -1.45770 C 5.79580 5.63820 -1.77650 C 7.22860 5.72680 -1.73800 C 7.97860 4.65100 -1.38430 C 5.55820 -2.59930 0.68310 C 6.29970 -3.70770 1.04920 C 7.74060 -3.61430 1.09370 C 8.35540 -2.42020 0.76460 C 8.49280 -4.77660 1.48000 C 7.86530 -5.93950 1.79480 C 6.43320 -6.03310 1.74850 C 5.68170 -4.95990 1.39030 C 9.66600 0.02990 0.07480 H 9.18250 2.35180 -0.65800 H 4.21650 2.04880 -0.77040 H 4.08170 4.40480 -1.48450 H 5.21950 6.51230 -2.06310 H 7.70760 6.66650 -1.99490 H 9.06350 4.71040 -1.35130 H 4.47410 -2.66470 0.64940 H 9.43930 -2.34660 0.79530 H 9.57640 -4.69930 1.51260 H 8.44330 -6.81160 2.08420 H 5.95590 -6.97420 2.00340 H 4.59740 -5.02440 1.35340 C 10.88200 0.12300 0.09530 Si 12.72240 0.25590 0.06100 H 13.24117 -0.02168 1.35337 H 13.09492 1.57029 -0.32630 H 13.24718 -0.67865 -0.87046 H 1.77864 -0.40099 -0.06892 140 Singlet fission chromophore, unlinked model WITH side chains C -2.77280 -0.38740 -0.06160 H -1.77964 -0.42661 -0.07276 C -3.98360 -0.33960 -0.04800 C -5.40820 -0.24730 -0.02420 C -6.19560 -1.36650 -0.38510 C -7.63560 -1.26320 -0.36430 C -8.24320 -0.04390 0.01770 C -7.45670 1.07560 0.38030 C -6.01710 0.97200 0.36020 C -8.40410 -2.39010 -0.72820 C -7.81370 -3.58370 -1.10090 C -6.37300 -3.68790 -1.12150 C -5.60770 -2.59160 -0.76810 C -5.78040 -4.93780 -1.51290 C -6.55540 -5.99910 -1.85610 C -7.98750 -5.89550 -1.83480 C -8.59140 -4.73420 -1.47170 C -5.25080 2.09960 0.72820 C -5.84210 3.29220 1.10290 C -7.28260 3.39530 1.12100 C -8.04610 2.29900 0.76470 C -7.87890 4.64300 1.51330 C -7.10580 5.70430 1.86060 C -5.67340 5.60240 1.84320 C -5.06690 4.44270 1.47900 C -9.66450 0.05990 0.04250 H -9.48780 -2.30830 -0.71200 H -4.52380 -2.66500 -0.78240 H -4.69610 -5.01000 -1.52710 H -6.09750 -6.93820 -2.15100 H -8.58420 -6.75860 -2.11300 H -9.67470 -4.64900 -1.45310 H -4.16750 2.01860 0.71410 H -9.13010 2.37180 0.78030 H -8.96380 4.71220 1.52390 H -7.56530 6.64250 2.15620 H -5.07860 6.46550 2.12530 H -3.98340 4.35920 1.46410 C -10.88030 0.15300 0.06750 Si -12.71770 0.31210 0.14370 C -13.47840 -0.31900 -1.48380 C -12.52500 -0.21290 -2.68070 C -14.80840 0.38710 -1.78970 C -13.29730 -0.74380 1.60830 C -12.80520 -2.19110 1.49280 C -14.82160 -0.69620 1.76990 C -13.09180 2.15000 0.42990 C -12.65300 2.59100 1.83190 C -12.42970 3.03090 -0.63770 H -13.69580 -1.38530 -1.32070 H -12.99610 -0.61160 -3.58750 H -11.59300 -0.75930 -2.50900 H -12.25580 0.83040 -2.88280 H -15.27810 -0.04330 -2.68230 H -14.65100 1.45390 -1.98730 H -15.52650 0.30840 -0.96590 H -12.83710 -0.30160 2.50320 H -11.71420 -2.24160 1.41470 H -13.22880 -2.68420 0.60910 H -13.10940 -2.77880 2.36740 H -15.32000 -1.15470 0.90690 H -15.19790 0.32910 1.86750 H -15.14000 -1.25290 2.65950 H -14.18230 2.27340 0.35150 H -13.19850 2.06370 2.62160 H -12.82100 3.66580 1.97280 H -11.58270 2.40140 1.98480 H -12.77510 2.78990 -1.64880 H -11.34020 2.90550 -0.62530 H -12.64580 4.09100 -0.45710 C 2.77190 -0.36400 -0.05850 C 3.98280 -0.31890 -0.04580 C 5.40820 -0.23990 -0.02480 C 6.04210 0.97890 -0.36700 C 7.48240 1.06850 -0.33340 C 8.24420 -0.06330 0.04390 C 7.61160 -1.28210 0.38480 C 6.17120 -1.37300 0.34590 C 8.09770 2.29110 -0.67800 C 7.35720 3.40150 -1.03980 C 5.91590 3.31270 -1.07520 C 5.30020 2.11990 -0.74310 C 5.16580 4.47770 -1.45770 C 5.79580 5.63820 -1.77650 C 7.22860 5.72680 -1.73800 C 7.97860 4.65100 -1.38430 C 5.55820 -2.59930 0.68310 C 6.29970 -3.70770 1.04920 C 7.74060 -3.61430 1.09370 C 8.35540 -2.42020 0.76460 C 8.49280 -4.77660 1.48000 C 7.86530 -5.93950 1.79480 C 6.43320 -6.03310 1.74850 C 5.68170 -4.95990 1.39030 C 9.66600 0.02990 0.07480 H 9.18250 2.35180 -0.65800 H 4.21650 2.04880 -0.77040 H 4.08170 4.40480 -1.48450 H 5.21950 6.51230 -2.06310 H 7.70760 6.66650 -1.99490 H 9.06350 4.71040 -1.35130 H 4.47410 -2.66470 0.64940 H 9.43930 -2.34660 0.79530 H 9.57640 -4.69930 1.51260 H 8.44330 -6.81160 2.08420 H 5.95590 -6.97420 2.00340 H 4.59740 -5.02440 1.35340 C 10.88200 0.12300 0.09530 Si 12.72240 0.25590 0.06100 C 13.23220 2.04050 0.49320 C 12.13530 3.07020 0.19260 C 14.54650 2.42870 -0.20030 C 13.39830 -0.96790 1.34180 C 12.79090 -0.73670 2.73000 C 14.93030 -0.92260 1.39840 C 13.27270 -0.21830 -1.69210 C 13.04610 -1.71240 -1.95260 C 12.55070 0.62590 -2.75040 H 13.41050 2.04990 1.57880 H 11.22210 2.86120 0.75830 H 11.87080 3.07010 -0.87250 H 12.47130 4.08300 0.44730 H 14.41840 2.48070 -1.28780 H 15.35290 1.71440 -0.00010 H 14.88600 3.41570 0.13590 H 13.09160 -1.96730 1.00060 H 13.16440 -1.47630 3.44850 H 11.69840 -0.80340 2.70860 H 13.05640 0.25400 3.11860 H 15.38770 -1.09720 0.41720 H 15.32240 -1.67970 2.08800 H 15.27770 0.05320 1.75980 H 14.35150 -0.01130 -1.75990 H 11.99290 -1.97930 -1.79910 H 13.65210 -2.34210 -1.29250 H 13.30310 -1.97150 -2.98680 H 11.46630 0.47640 -2.69130 H 12.87180 0.34370 -3.76040 H 12.74500 1.69720 -2.62840 H 1.77864 -0.40099 -0.06892 104 Singlet fission chromophore, linked model WITHOUT side chains C -2.77280 -0.38740 -0.06160 H -1.00540 -1.85720 1.49800 C -0.75810 -1.75070 0.43600 H -13.06673 1.32779 1.07265 H -13.28296 -0.92288 0.55807 H -13.21690 0.65378 -1.14100 C -3.98360 -0.33960 -0.04800 C -5.40820 -0.24730 -0.02420 C -6.19560 -1.36650 -0.38510 C -7.63560 -1.26320 -0.36430 C -8.24320 -0.04390 0.01770 C -7.45670 1.07560 0.38030 C -6.01710 0.97200 0.36020 C -8.40410 -2.39010 -0.72820 C -7.81370 -3.58370 -1.10090 C -6.37300 -3.68790 -1.12150 C -5.60770 -2.59160 -0.76810 C -5.78040 -4.93780 -1.51290 C -6.55540 -5.99910 -1.85610 C -7.98750 -5.89550 -1.83480 C -8.59140 -4.73420 -1.47170 C -5.25080 2.09960 0.72820 C -5.84210 3.29220 1.10290 C -7.28260 3.39530 1.12100 C -8.04610 2.29900 0.76470 C -7.87890 4.64300 1.51330 C -7.10580 5.70430 1.86060 C -5.67340 5.60240 1.84320 C -5.06690 4.44270 1.47900 C -9.66450 0.05990 0.04250 H -9.48780 -2.30830 -0.71200 H -4.52380 -2.66500 -0.78240 H -4.69610 -5.01000 -1.52710 H -6.09750 -6.93820 -2.15100 H -8.58420 -6.75860 -2.11300 H -9.67470 -4.64900 -1.45310 H -4.16750 2.01860 0.71410 H -9.13010 2.37180 0.78030 H -8.96380 4.71220 1.52390 H -7.56530 6.64250 2.15620 H -5.07860 6.46550 2.12530 H -3.98340 4.35920 1.46410 C -10.88030 0.15300 0.06750 Si -12.71770 0.31210 0.14370 C -0.76430 -0.15330 -1.49210 H -1.27530 0.70590 -1.93670 H -1.00460 -1.02430 -2.11180 H -1.01750 1.68940 0.40590 H -1.27940 0.67400 1.82210 H -1.25880 -2.56810 -0.09250 C -0.76970 0.72010 0.85470 C -1.30940 -0.39760 -0.06610 C 0.75680 0.56250 1.02700 C 1.30880 -0.38400 -0.06380 C 0.77130 -1.80560 0.21280 C 0.76220 0.08230 -1.43220 H 1.00170 0.14330 2.00920 C 2.77190 -0.36400 -0.05850 H 1.27740 -2.22370 1.08880 H 1.27330 -0.45850 -2.23420 H 1.00140 1.14440 -1.55950 C 3.98280 -0.31890 -0.04580 C 5.40820 -0.23990 -0.02480 C 6.04210 0.97890 -0.36700 C 7.48240 1.06850 -0.33340 C 8.24420 -0.06330 0.04390 C 7.61160 -1.28210 0.38480 C 6.17120 -1.37300 0.34590 C 8.09770 2.29110 -0.67800 C 7.35720 3.40150 -1.03980 C 5.91590 3.31270 -1.07520 C 5.30020 2.11990 -0.74310 C 5.16580 4.47770 -1.45770 C 5.79580 5.63820 -1.77650 C 7.22860 5.72680 -1.73800 C 7.97860 4.65100 -1.38430 C 5.55820 -2.59930 0.68310 C 6.29970 -3.70770 1.04920 C 7.74060 -3.61430 1.09370 C 8.35540 -2.42020 0.76460 C 8.49280 -4.77660 1.48000 C 7.86530 -5.93950 1.79480 C 6.43320 -6.03310 1.74850 C 5.68170 -4.95990 1.39030 C 9.66600 0.02990 0.07480 H 9.18250 2.35180 -0.65800 H 4.21650 2.04880 -0.77040 H 4.08170 4.40480 -1.48450 H 5.21950 6.51230 -2.06310 H 7.70760 6.66650 -1.99490 H 9.06350 4.71040 -1.35130 H 4.47410 -2.66470 0.64940 H 9.43930 -2.34660 0.79530 H 9.57640 -4.69930 1.51260 H 8.44330 -6.81160 2.08420 H 5.95590 -6.97420 2.00340 H 4.59740 -5.02440 1.35340 C 10.88200 0.12300 0.09530 Si 12.72240 0.25590 0.06100 H 1.26070 1.53160 0.95850 H 1.02220 -2.44590 -0.64030 H 13.24117 -0.02168 1.35337 H 13.09492 1.57029 -0.32630 H 13.24718 -0.67865 -0.87046