Input.xyz

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Revision as of 14:54, 20 November 2013 by 10.0.7.14 (talk) (New page: ---- 14 E= -395.551958067 C -1.470748 1.412163 -0.000133 C -0.144159 0.997995 -0.000309 C 0.146242 -0.367112 -0.000151 C -0.882149 -1.308853 0.000159 C -2.203158 -0.881583 0.000357 C -2....)
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14

E= -395.551958067 C -1.470748 1.412163 -0.000133 C -0.144159 0.997995 -0.000309 C 0.146242 -0.367112 -0.000151 C -0.882149 -1.308853 0.000159 C -2.203158 -0.881583 0.000357 C -2.503612 0.478566 0.000209 H -1.697081 2.476945 -0.000262 H 0.660836 1.732611 -0.000583 H -0.625075 -2.366101 0.000256 H -3.003949 -1.618779 0.000618 H -3.540015 0.809798 0.000345 N 1.466981 -0.888115 -0.000118 N 2.401469 -0.088837 -0.000592 N 3.345679 0.550655 0.000510

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