N8C8H8 -- isomer 4A -- MP2/cc-pVDZ optimized geometry C 0.000346 1.028763 1.698152 N -1.093355 -0.000406 1.709730 C -0.000346 -1.028763 1.698152 N 1.093355 0.000406 1.709730 C -0.000346 1.707566 0.328584 C -1.675836 0.001681 0.358288 C 0.000346 -1.707566 0.328584 C 1.675836 -0.001681 0.358288 N -1.215236 1.220189 -0.366748 N -1.196215 -1.197626 -0.371963 N 1.215236 -1.220189 -0.366748 N 1.196215 1.197626 -0.371963 N -0.786008 0.787253 -1.707354 C -0.730009 -0.727206 -1.657770 N 0.786008 -0.787253 -1.707354 C 0.730009 0.727206 -1.657770 H 0.000662 1.693376 2.573900 H -0.000662 -1.693376 2.573900 H 0.005402 2.807039 0.349136 H -2.774796 -0.001854 0.394951 H -0.005402 -2.807039 0.349136 H 2.774796 0.001854 0.394951 H -1.204233 -1.204196 -2.527160 H 1.204233 1.204196 -2.527160 N8C8H8 -- isomer 4C -- MP2/cc-pVDZ optimized geometry N -1.046475 -0.318591 -1.707929 C -0.291481 0.982755 -1.654541 N 1.046475 0.318591 -1.707929 C 0.291481 -0.982755 -1.654541 C -1.639561 -0.512622 -0.382766 N -0.484033 1.642838 -0.358464 C 1.639561 0.512622 -0.382766 N 0.484033 -1.642838 -0.358464 C -1.502166 0.833223 0.382753 N 0.805976 1.511167 0.358444 C 1.502166 -0.833223 0.382753 N -0.805976 -1.511167 0.358444 N -0.960475 0.523386 1.707951 C 0.484033 0.903630 1.654534 N 0.960475 -0.523386 1.707951 C -0.484033 -0.903630 1.654534 H -0.500015 1.651969 -2.501415 H 0.500015 -1.651969 -2.501415 H -2.672811 -0.886545 -0.447681 H 2.672811 0.886545 -0.447681 H -2.438512 1.408191 0.447796 H 2.438512 -1.408191 0.447796 H 0.823468 1.516928 2.501405 H -0.823468 -1.516928 2.501405 N8C8H8 -- isomer 3A -- MP2/cc-pVDZ optimized geometry N 1.103355 -1.708691 0.000000 N 0.036439 -1.722717 1.085880 C -0.984962 -1.670624 0.000000 N 0.036439 -1.722717 -1.085880 C 1.670238 -0.341912 -0.000000 C 0.030225 -0.388858 1.720198 N -1.675926 -0.380588 0.000000 C 0.030225 -0.388858 -1.720198 N 1.198036 0.363111 1.208774 C -1.229190 0.364131 1.194746 C -1.229190 0.364131 -1.194746 N 1.198036 0.363111 -1.208774 C 0.717122 1.677969 0.770920 N -0.791561 1.705272 0.763250 N -0.791561 1.705272 -0.763250 C 0.717122 1.677969 -0.770920 H -1.672760 -2.528960 0.000000 H 2.768473 -0.410557 -0.000000 H 0.071407 -0.483766 2.816302 H 0.071407 -0.483766 -2.816302 H -2.040767 0.446736 1.934988 H -2.040767 0.446736 -1.934988 H 1.160331 2.517757 1.325030 H 1.160331 2.517757 -1.325030 N8C8H8 -- isomer 5 -- MP2/cc-pVDZ optimized geometry C -1.002972 1.755324 0.000000 C 0.131152 1.659861 1.070301 N 1.185179 1.601868 -0.000000 C 0.131152 1.659861 -1.070301 N -1.682128 0.453360 0.000000 N 0.029391 0.350047 1.731856 C 1.691224 0.245365 -0.000000 N 0.029391 0.350047 -1.731856 C -1.204350 -0.287271 1.183615 N 1.188238 -0.434997 1.229787 N 1.188238 -0.434997 -1.229787 C -1.204350 -0.287271 -1.183615 N -0.870086 -1.648223 0.762026 C 0.632330 -1.719713 0.775930 C 0.632330 -1.719713 -0.775930 N -0.870086 -1.648223 -0.762026 H -1.676169 2.624662 0.000000 H 0.279476 2.486699 1.779491 H 0.279476 2.486699 -1.779491 H 2.791068 0.195029 -0.000000 H -1.972204 -0.295418 1.971934 H -1.972204 -0.295418 -1.971934 H 1.022241 -2.581538 1.334960 H 1.022241 -2.581538 -1.334960 N8C8H8 -- isomer 6C -- MP2/cc-pVDZ optimized geometry N 0.000000 1.088399 -1.705282 C 1.028659 0.000000 -1.661818 N 0.000000 -1.088399 -1.705282 C -1.028659 0.000000 -1.661818 C 0.000000 1.676160 -0.374659 N 1.732477 0.000000 -0.361554 C 0.000000 -1.676160 -0.374659 N -1.732477 0.000000 -0.361554 N 1.225160 1.214618 0.333812 N 1.225160 -1.214618 0.333812 N -1.225160 -1.214618 0.333812 N -1.225160 1.214618 0.333812 C 0.787275 0.781103 1.661793 C 0.787275 -0.781103 1.661793 C -0.787275 -0.781103 1.661793 C -0.787275 0.781103 1.661793 H 1.730030 0.000000 -2.506893 H -1.730030 0.000000 -2.506893 H 0.000000 2.776588 -0.398472 H 0.000000 -2.776588 -0.398472 H 1.307766 1.284980 2.488595 H 1.307766 -1.284980 2.488595 H -1.307766 -1.284980 2.488595 H -1.307766 1.284980 2.488595 N8C8H8 -- isomer 6D -- MP2/cc-pVDZ optimized geometry C -1.162147 1.616670 0.000000 C -0.059410 1.664636 1.109452 C 1.050565 1.705827 0.000000 C -0.059410 1.664636 -1.109452 N -1.732684 0.269226 0.000000 N -0.006134 0.339253 1.730649 N 1.701011 0.388392 0.000000 N -0.006134 0.339253 -1.730649 N -1.205701 -0.386766 1.230908 C 1.200583 -0.338482 1.181748 C 1.200583 -0.338482 -1.181748 N -1.205701 -0.386766 -1.230908 C -0.699145 -1.692135 0.772462 N 0.805629 -1.685973 0.761570 N 0.805629 -1.685973 -0.761570 C -0.699145 -1.692135 -0.772462 H -1.923347 2.408504 0.000000 H -0.109714 2.492691 1.830616 H 1.748649 2.555977 0.000000 H -0.109714 2.492691 -1.830616 H 1.970806 -0.381501 1.967043 H 1.970806 -0.381501 -1.967043 H -1.136867 -2.532294 1.327462 H -1.136867 -2.532294 -1.327462 N8C8H8 -- isomer 2B -- MP2/cc-pVDZ optimized geometry N 1.016442 -1.747879 0.000000 N -0.050420 -1.727740 1.064770 N -1.112910 -1.701169 0.000000 N -0.050420 -1.727740 -1.064770 C 1.712304 -0.431602 0.000000 C -0.039867 -0.388692 1.708213 C -1.683460 -0.332568 0.000000 C -0.039867 -0.388692 -1.708213 C 1.224977 0.368602 1.226718 N -1.205700 0.369187 1.208475 N -1.205700 0.369187 -1.208475 C 1.224977 0.368602 -1.226718 N 0.785828 1.702226 0.765053 C -0.719786 1.684676 0.770990 C -0.719786 1.684676 -0.770990 N 0.785828 1.702226 -0.765053 H 2.797312 -0.606478 0.000000 H -0.088361 -0.517504 2.799670 H -2.781104 -0.396893 0.000000 H -0.088361 -0.517504 -2.799670 H 1.995668 0.467440 2.005804 H 1.995668 0.467440 -2.005804 H -1.164198 2.522700 1.326596 H -1.164198 2.522700 -1.326596 N8C8H8 -- isomer 6B -- MP2/cc-pVDZ optimized geometry C 1.102140 -0.001945 1.671352 C 0.001600 1.104799 1.703557 C -1.102140 0.001945 1.671352 C -0.001600 -1.104799 1.703557 N 1.733292 -0.002092 0.328410 C -0.001600 1.711057 0.313739 N -1.733292 0.002092 0.328410 C 0.001600 -1.711057 0.313739 N 1.226433 1.223833 -0.381142 N -1.206960 1.195002 -0.377405 N -1.226433 -1.223833 -0.381142 N 1.206960 -1.195002 -0.377405 N 0.784307 0.787689 -1.704536 C -0.738807 0.718969 -1.658695 N -0.784307 -0.787689 -1.704536 C 0.738807 -0.718969 -1.658695 H 1.857245 -0.003520 2.469669 H 0.001460 1.806588 2.547430 H -1.857245 0.003520 2.469669 H -0.001460 -1.806588 2.547430 H -0.006833 2.810471 0.272290 H 0.006833 -2.810471 0.272290 H -1.214261 1.196290 -2.526387 H 1.214261 -1.196290 -2.526387 N8C8H8 -- isomer 6A -- MP2/cc-pVDZ optimized geometry N -1.105827 0.000000 -1.707243 C 0.000000 1.022490 -1.697075 N 1.105827 0.000000 -1.707243 C 0.000000 -1.022490 -1.697075 N -1.743474 0.000000 -0.370847 C 0.000000 1.691458 -0.346843 N 1.743474 0.000000 -0.370847 C 0.000000 -1.691458 -0.346843 N -1.220789 1.219171 0.340158 N 1.220789 1.219171 0.340158 N 1.220789 -1.219171 0.340158 N -1.220789 -1.219171 0.340158 C -0.786926 0.780371 1.668150 C 0.786926 0.780371 1.668150 C 0.786926 -0.780371 1.668150 C -0.786926 -0.780371 1.668150 H 0.000000 1.674923 -2.580220 H 0.000000 -1.674923 -2.580220 H 0.000000 2.791279 -0.377413 H 0.000000 -2.791279 -0.377413 H -1.306926 1.286577 2.493880 H 1.306926 1.286577 2.493880 H 1.306926 -1.286577 2.493880 H -1.306926 -1.286577 2.493880 N8C8H8 -- isomer 2A -- MP2/cc-pVDZ optimized geometry N -0.753704 0.752662 -1.730404 N 0.753704 0.752662 -1.730404 N 0.753704 -0.752662 -1.730404 N -0.753704 -0.752662 -1.730404 C -1.216830 1.190372 -0.386776 C 1.216830 1.190372 -0.386776 C 1.216830 -1.190372 -0.386776 C -1.216830 -1.190372 -0.386776 C 0.000000 1.763541 0.369349 N 1.695039 0.000000 0.351164 C 0.000000 -1.763541 0.369349 N -1.695039 0.000000 0.351164 C 0.000000 1.033431 1.701837 N 1.101356 0.000000 1.708292 C 0.000000 -1.033431 1.701837 N -1.101356 0.000000 1.708292 H -2.034277 1.915062 -0.512958 H 2.034277 1.915062 -0.512958 H 2.034277 -1.915062 -0.512958 H -2.034277 -1.915062 -0.512958 H 0.000000 2.859296 0.444555 H 0.000000 -2.859296 0.444555 H 0.000000 1.659675 2.605019 H 0.000000 -1.659675 2.605019 N8C8H8 -- isomer 7 -- MP2/cc-pVDZ optimized geometry C 1.036157 -1.765757 0.000000 C -0.081791 -1.659850 1.070930 N -1.158881 -1.630654 0.000000 C -0.081791 -1.659850 -1.070930 C 1.693889 -0.390042 0.000000 N -0.002770 -0.348458 1.724932 N -1.751305 -0.317536 0.000000 N -0.002770 -0.348458 -1.724932 N 1.227741 0.321015 1.214006 N -1.209860 0.354976 1.245748 N -1.209860 0.354976 -1.245748 N 1.227741 0.321015 -1.214006 C 0.807608 1.657032 0.785360 C -0.755484 1.671476 0.785004 C -0.755484 1.671476 -0.785004 C 0.807608 1.657032 -0.785360 H 1.702813 -2.636813 0.000000 H -0.239668 -2.473575 1.791316 H -0.239668 -2.473575 -1.791316 H 2.795095 -0.410305 0.000000 H 1.321260 2.475279 1.310021 H -1.262808 2.503241 1.292271 H -1.262808 2.503241 -1.292271 H 1.321260 2.475279 -1.310021 N8C8H8 -- isomer 4D -- MP2/cc-pVDZ optimized geometry N 0.518099 -0.972888 -1.710744 C -0.905080 -0.489309 -1.699762 N -0.518099 0.972888 -1.710744 C 0.905080 0.489309 -1.699762 N 0.795456 -1.532975 -0.369269 C -1.522170 -0.818634 -0.357358 N -0.795456 1.532975 -0.369269 C 1.522170 0.818634 -0.357358 N -0.518099 -1.647515 0.369267 C -1.640881 0.542771 0.357354 N 0.518099 1.647515 0.369267 C 1.640881 -0.542771 0.357354 N -0.341874 -1.047881 1.710751 C -0.976118 0.325263 1.699767 N 0.341874 1.047881 1.710751 C 0.976118 -0.325263 1.699767 H -1.473436 -0.785540 -2.592278 H 1.473436 0.785540 -2.592278 H -2.471744 -1.369794 -0.416422 H 2.471744 1.369794 -0.416422 H -2.671730 0.921371 0.416375 H 2.671730 -0.921371 0.416375 H -1.587155 0.518657 2.592288 H 1.587155 -0.518657 2.592288 N8C8H8 -- isomer 4B -- MP2/cc-pVDZ optimized geometry N -0.800031 0.800031 -1.719172 N 0.800031 0.800031 -1.719172 N 0.800031 -0.800031 -1.719172 N -0.800031 -0.800031 -1.719172 N -1.190137 1.190137 -0.406704 N 1.190137 1.190137 -0.406704 N 1.190137 -1.190137 -0.406704 N -1.190137 -1.190137 -0.406704 C 0.000000 1.707672 0.303465 C 1.707672 0.000000 0.303465 C 0.000000 -1.707672 0.303465 C -1.707672 0.000000 0.303465 C 0.000000 1.106264 1.711087 C 1.106264 0.000000 1.711087 C 0.000000 -1.106264 1.711087 C -1.106264 0.000000 1.711087 H 0.000000 2.806117 0.254371 H 2.806117 0.000000 0.254371 H 0.000000 -2.806117 0.254371 H -2.806117 0.000000 0.254371 H 0.000000 1.827356 2.539447 H 1.827356 0.000000 2.539447 H 0.000000 -1.827356 2.539447 H -1.827356 0.000000 2.539447 N8C8H8 -- isomer 1 -- MP2/cc-pVDZ optimized geometry N -1.174213 1.658649 0.000000 N -0.091382 1.720177 1.087785 C 0.930140 1.749920 0.000000 N -0.091382 1.720177 -1.087785 N -1.713326 0.292172 0.000000 C -0.022299 0.396110 1.732847 C 1.733984 0.440395 0.000000 C -0.022299 0.396110 -1.732847 C -1.212711 -0.423927 1.187255 C 1.230510 -0.358773 1.223945 C 1.230510 -0.358773 -1.223945 C -1.212711 -0.423927 -1.187255 N -0.705112 -1.753008 0.752820 N 0.801870 -1.703343 0.751593 N 0.801870 -1.703343 -0.751593 N -0.705112 -1.753008 -0.752820 H 1.530107 2.672077 0.000000 H -0.051064 0.502047 2.826969 H 2.823410 0.583147 0.000000 H -0.051064 0.502047 -2.826969 H -2.020819 -0.569460 1.918101 H 1.998508 -0.486248 2.000819 H 1.998508 -0.486248 -2.000819 H -2.020819 -0.569460 -1.918101 N8C8H8 -- isomer 3B -- MP2/cc-pVDZ optimized geometry N 0.077832 -1.719323 1.078999 C -0.950320 -1.720671 0.000000 N 0.077832 -1.719323 -1.078999 N 1.145107 -1.672890 0.000000 C 0.005821 -0.393677 1.703721 N -1.724093 -0.444296 0.000000 C 0.005821 -0.393677 -1.703721 C 1.738947 -0.305882 0.000000 N -1.237670 0.279252 1.209788 N -1.237670 0.279252 -1.209788 C 1.212024 0.447434 -1.243791 C 1.212024 0.447434 1.243791 N -0.928618 1.627034 0.783791 N -0.928618 1.627034 -0.783791 C 0.592638 1.767537 -0.769961 C 0.592638 1.767537 0.769961 H -1.621646 -2.589397 0.000000 H -0.075040 -0.487543 2.796596 H -0.075040 -0.487543 -2.796596 H 2.834363 -0.409499 0.000000 H 1.970640 0.569019 -2.029990 H 1.970640 0.569019 2.029990 H 0.914910 2.671281 -1.305663 H 0.914910 2.671281 1.305663 N8C8H8 -- isomer 8 -- MP2/cc-pVDZ optimized geometry H -0.000000 1.835941 2.484510 H -1.835941 0.000000 2.484510 H -0.000000 -1.835941 2.484510 H 1.835941 -0.000000 2.484510 C -0.000000 1.107122 1.663016 C -1.107122 0.000000 1.663016 C -0.000000 -1.107122 1.663016 C 1.107122 -0.000000 1.663016 N -0.000000 1.733535 0.336500 N -1.225794 1.225794 -0.336500 N -1.733535 0.000000 0.336500 N -1.225794 -1.225794 -0.336500 N -0.000000 -1.733535 0.336500 N 1.225794 -1.225794 -0.336500 N 1.733535 -0.000000 0.336500 N 1.225794 1.225794 -0.336500 C -0.782854 0.782854 -1.663016 C -0.782854 -0.782854 -1.663016 C 0.782854 -0.782854 -1.663016 C 0.782854 0.782854 -1.663016 H -1.298206 1.298206 -2.484510 H -1.298206 -1.298206 -2.484510 H 1.298206 -1.298206 -2.484510 H 1.298206 1.298206 -2.484510 N8C8H8 -- isomer 4E -- MP2/cc-pVDZ optimized geometry N 0.572821 -0.917329 -1.719648 N -0.900172 -0.575828 -1.735148 N -0.572821 0.917329 -1.719648 N 0.900172 0.575828 -1.735148 N 0.900172 -1.465180 -0.387882 C -1.427961 -0.912518 -0.413436 N -0.900172 1.465180 -0.387882 C 1.427961 0.912518 -0.413436 N -0.384475 -1.659734 0.330372 C -1.698875 0.420041 0.323520 N 0.384475 1.659734 0.330372 C 1.698875 -0.420041 0.323520 C -0.250055 -1.066620 1.672883 C -1.083051 0.258885 1.710557 C 0.250055 1.066620 1.672883 C 1.083051 -0.258885 1.710557 H -2.323745 -1.542583 -0.524381 H 2.323745 1.542583 -0.524381 H -2.757899 0.716585 0.310480 H 2.757899 -0.716585 0.310480 H -1.750066 0.425458 2.566896 H 1.750066 -0.425458 2.566896 H -0.418355 -1.803672 2.472007 H 0.418355 1.803672 2.472007 N8C8H8 -- isomer 0 -- MP2/cc-pVDZ optimized geometry N 0.000000 1.064357 1.727504 N -1.064357 0.000000 1.727504 N 0.000000 -1.064357 1.727504 N 1.064357 0.000000 1.727504 C 0.000000 1.729588 0.395668 C -1.729588 0.000000 0.395668 C 0.000000 -1.729588 0.395668 C 1.729588 0.000000 0.395668 C -1.223070 1.223070 -0.395691 C -1.223070 -1.223070 -0.395691 C 1.223070 -1.223070 -0.395691 C 1.223070 1.223070 -0.395691 N -0.752594 0.752594 -1.727481 N -0.752594 -0.752594 -1.727481 N 0.752594 -0.752594 -1.727481 N 0.752594 0.752594 -1.727481 H 0.000000 2.819329 0.541539 H -2.819329 0.000000 0.541539 H 0.000000 -2.819329 0.541539 H 2.819329 0.000000 0.541539 H -1.993452 1.993452 -0.541556 H -1.993452 -1.993452 -0.541556 H 1.993452 -1.993452 -0.541556 H 1.993452 1.993452 -0.541556