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1、表1-1SpeciesFrequencies110.8565170.8146221.9523968.9526970.4918124.7446171.6564225.3114969.30491261.9416125.5993172.9560517.5158970.14181262.149427.310374.426675.0566156.0017156.9130159.3753169.3776170.4287291.6967967.2763967.5129967.8604968.06681255.32841255.5049387.2987135.0126150
2、.2161167.5600230.1068258.6494361.6137427.0430468.7477581.0790631.40661016.25591114.44911206.82381280.0402497.8451302.6403354.7150435.0092456.7495495.8223617.6114626.7612657.9758731.1176847.9553962.03621055.69501089.93341132.75425114.5364189.4383223.7868271.2452324.4881415.3609497.3
3、076629.8594631.0419693.0507793.52571106.19301251.04901284.46271330.9182693.409394.7546197.1457251.0057334.8086335.5754412.2121425.2606500.1954633.7871700.32161036.27961111.93531239.18721266.17237101.0068214.4864262.7532467.9988469.2929509.9756570.3767586.4367652.3710664.6498774.667
4、6807.6489855.2734923.2150959.3224897.8451302.6403354.7150435.0092456.7495495.8223617.6114626.7612657.9758731.1176847.9553962.03621055.69501089.93341132.75429179.2747219.0996277.3749288.3932471.6153513.1854529.5838630.8538647.2632680.4805800.24371111.35731258.66531291.96211327.16141
5、010.152893.127095.0430154.0307159.0930160.4351325.3518326.9503528.5940632.8760633.1505718.1169719.1891752.3149848.5943851.1311860.4050861.0239967.0281969.02691036.52791036.91581082.01131082.81211151.06851259.44271298.55281403.48941404.08281491.17951491.44213192.92223194.30383213.54
6、653213.79443230.5411115.368963.651064.6679146.2210149.7760150.9358172.8012174.3822301.3583632.5933633.3150670.6400671.3783723.5454819.3507822.1325854.0393854.6326966.9616967.65031032.68311032.94431078.59941079.05801148.11241254.84211296.75301400.55651400.96811488.50241488.84783171.
7、33963172.38493193.24863193.29373212.0524坐標Speciesinternalcoordinates1Charge=-1Multiplicity=1B,0,0.304041006,-0.8502333548,-2.2553959948B,0,-0.2229978578,0.5966470333,-2.3518727328B,0,-0.5903474894,-0.9095106528,2.1768471801B,0,-1.126359048,0.5346763004,2.0899523852B,0,0.3652780965,
8、0.2824661863,2.3919211481□
