第四章π 和σ 电子的离域是失稳定的
第四章π 和σ 电子的离域是失稳定的
第四章π 和σ 电子的离域是失稳定的
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110 12 4xx 0.005116 0.006682 -0.002155 -0.000086 110 -0.000460 0.000000 0.000000 0.000478<br />
111 12 4yy -0.001583 0.001221 0.001499 -0.006488 111 0.000000 -0.000079 -0.000017 0.000000<br />
112 12 4zz 0.001286 -0.007907 0.000656 -0.001479 112 0.000000 -0.001553 0.000062 0.000000<br />
113 12 4xy -0.012127 -0.003737 -0.000332 0.002897 113 0.000000 0.000873 0.000091 0.000000<br />
114 12 4xz -0.003590 0.014352 -0.004901 0.000205 114 -0.002566 0.000000 0.000000 -0.002167<br />
115 12 4yz 0.002674 -0.003171 -0.004951 -0.001810 115 -0.000436 0.000000 0.000000 0.000126<br />
116 13C 1s -0.017330 0.000000 0.000000 0.012057 116 0.001179 0.000000 0.000000 0.002047<br />
117 13 2s 0.039705 0.000011 0.000001 -0.030662 117 0.000000 -0.000020 -0.000002 0.000000<br />
118 13 2px 0.171340 0.055049 0.009031 0.086950 118 -0.001467 0.000000 0.000000 0.001662<br />
119 13 2py 0.165346 -0.039167 -0.006426 -0.016008 119 0.000379 0.000000 0.000000 0.000586<br />
120 13 2pz -0.013376 0.220992 0.036250 -0.024496 120 0.000022 0.000000 0.000000 -0.000078<br />
121 13 3S 0.033290 -0.000027 -0.000005 -0.046846 121 -0.000242 0.000000 0.000000 -0.000321<br />
122 13 3px 0.064502 0.031768 0.004175 0.031868 122 0.000700 0.000000 0.000000 -0.000529<br />
123 13 3py 0.066341 -0.022621 -0.002973 -0.008950 123 -0.001251 0.000000 0.000000 -0.003222<br />
124 13 3pz -0.004311 0.127559 0.016750 -0.009527 124 0.001753 0.000000 0.000000 0.001075<br />
125 13 4xx 0.004847 -0.002877 -0.001084 0.002321 125 -0.000381 0.000000 0.000000 -0.000216<br />
126 13 4yy -0.005017 -0.002300 0.002417 0.002329 126 0.000186 0.000000 0.000000 0.000007<br />
127 13 4zz -0.000935 0.005178 -0.001333 0.000747 127 0.000852 0.000000 0.000000 0.000568<br />
128 13 4xy -0.007287 0.003049 -0.001516 -0.000517 128 0.000193 0.000000 0.000000 0.000044<br />
129 13 4xz -0.003203 -0.005925 -0.002705 -0.000604 129 -0.000728 0.000000 0.000000 -0.001205<br />
130 13 4yz 0.001155 0.006961 -0.007737 0.000496 130 0.000000 -0.011308 0.083906 0.000000<br />
131 14H 1S 0.098621 0.000004 0.000000 0.038294 131 0.053662 0.000000 0.000000 -0.115111<br />
132 14 2S 0.070007 0.000002 -0.000001 0.033774 132 -0.074645 0.000000 0.000000 -0.040550<br />
133 15C 1s 0.000343 -0.000006 -0.000010 -0.003475 133 -0.090493 0.000000 0.000000 -0.003589<br />
134 15 2s -0.001150 0.000030 0.000061 0.008849 134 -0.006397 0.000000 0.000000 0.047904<br />
135 15 2px -0.140923 0.042935 0.044203 -0.002416 135 0.000000 -0.029756 -0.008081 0.000000<br />
136 15 2py -0.170256 -0.030573 -0.031483 -0.043958 136 0.006280 0.000000 0.000000 -0.000974<br />
137 15 2pz 0.004907 0.172020 0.177910 -0.007217 137 -0.015016 0.000000 0.000000 -0.008724<br />
138 15 3S 0.015657 0.000008 -0.000038 -0.007923 138 0.000000 -0.016120 0.003959 0.000000<br />
139 15 3px -0.027498 0.020544 0.026072 0.016738 139 0.015285 0.000000 0.000000 -0.017260<br />
140 15 3py -0.040607 -0.014663 -0.018587 -0.005233 140 -0.009228 0.000000 0.000000 -0.003313<br />
141 15 3pz -0.000290 0.083796 0.102817 -0.005096 141 0.006882 0.000000 0.000000 0.018926<br />
142 15 4xx 0.001003 0.000491 -0.001135 0.000989 142 -0.013093 0.000000 0.000000 -0.016735<br />
143 15 4yy -0.000327 -0.000513 0.001539 -0.002998 143 0.000000 -0.003937 0.000056 0.000000<br />
144 15 4zz 0.000233 0.000026 -0.000397 0.000371 144 0.000000 0.001463 -0.006297 0.000000<br />
145 15 4xy -0.001145 0.000214 -0.000781 -0.004457 145 -0.002511 0.000000 0.000000 0.018468<br />
146 15 4xz -0.000463 0.001129 -0.002655 -0.001055 146 0.000000 0.000494 -0.000005 0.000000<br />
147 15 4yz 0.000201 0.001654 -0.004921 0.000484 147 0.007462 0.000000 0.000000 0.007686<br />
20
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