Input.xyz
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XYZ file for optimization in TeraChem.
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