egcgallate_r Spin Electron density from Spin SCF Density 51 -13.728348 -12.746824 -10.256459 96 0.324658 0.000000 0.000000 83 0.000000 0.324658 0.000000 64 0.000000 0.000000 0.324658 6 6.000000 10.271391 -1.042729 -2.121405 6 6.000000 7.992530 -2.354573 -2.171681 6 6.000000 6.031353 -1.550971 -0.594551 6 6.000000 6.273808 0.532084 1.024929 6 6.000000 8.602680 1.793266 1.025912 6 6.000000 10.605465 1.040457 -0.520158 6 6.000000 4.108501 1.388383 2.672283 6 6.000000 -0.380550 -3.989295 0.442392 6 6.000000 -1.000301 -4.275004 -2.112610 6 6.000000 -2.037685 -4.857309 2.315617 6 6.000000 -3.280652 -5.414707 -2.790067 6 6.000000 -4.337504 -5.931209 1.620529 6 6.000000 -4.962516 -6.234072 -0.923150 8 8.000000 -0.129301 0.423873 3.908594 8 8.000000 3.823020 -2.887115 -0.765664 8 8.000000 8.803490 3.830810 2.623885 1 1.000000 10.470742 4.561646 2.493934 8 8.000000 12.155079 -1.884499 -3.684928 1 1.000000 13.652615 -0.863068 -3.473313 8 8.000000 -3.874591 -5.699338 -5.285723 1 1.000000 -5.521750 -6.491046 -5.408727 8 8.000000 -7.201118 -7.300816 -1.689583 1 1.000000 -8.210073 -7.668184 -0.205757 1 1.000000 3.963270 3.452601 2.646429 1 1.000000 4.431852 0.863827 4.653704 6 6.000000 2.013645 -2.644666 1.243257 1 1.000000 2.785870 -3.543783 2.949825 6 6.000000 1.622354 0.196989 1.827490 1 1.000000 0.867277 1.109143 0.134668 1 1.000000 7.739571 -3.975741 -3.395075 1 1.000000 12.392394 2.057279 -0.479047 1 1.000000 0.275459 -3.650813 -3.586213 1 1.000000 -1.586246 -4.623948 4.302767 8 8.000000 -6.128171 -6.774284 3.316108 1 1.000000 -5.881537 -5.963552 4.934946 6 6.000000 -2.609888 1.106376 3.661367 8 8.000000 -4.131038 0.224742 5.133055 1 1.000000 -6.898778 1.181429 0.987202 6 6.000000 -5.680541 2.764951 0.541059 6 6.000000 -3.317824 3.014028 1.703987 6 6.000000 -6.476025 4.564491 -1.209215 6 6.000000 -1.763178 5.097848 1.161868 6 6.000000 -4.932865 6.643420 -1.757466 6 6.000000 -2.595236 6.906460 -0.556759 1 1.000000 0.035473 5.343280 2.116573 8 8.000000 -8.757612 4.300027 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