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29 lines
267 B
Text
29 lines
267 B
Text
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echo
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start dplot_dft
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geometry
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n 0 0 0.53879155
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n 0 0 -0.53879155
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end
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basis
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n library sto-3g
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end
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task dft
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dplot
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TITLE HOMO
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LimitXYZ
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-3.0 3.0 60
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-3.0 3.0 60
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-3.0 3.0 60
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spin total density
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gaussian
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output n2density.cube
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end
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task dplot
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