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	hartrees
Energy at 0K	-92.836857
Energy at 298.15K	-92.837056
HF Energy	-92.836857
Nuclear repulsion energy	24.004977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	3698	3328	66.45	22.13	0.18	0.30
2	Σ	2328	2095	12.76	51.25	0.19	0.32
3	Π	883	795	65.63	1.69	0.75	0.86
3	Π	883	795	65.63	1.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.500
H2	0.000	0.000	-1.554
N3	0.000	0.000	0.651

	C1	H2	N3
C1		1.0542	1.1508
H2	1.0542		2.2050
N3	1.1508	2.2050

Number	Element	Mulliken
1	C	-0.223
2	H	0.290
3	N	-0.067

All results from a given calculation for HCN (Hydrogen cyanide)

using model chemistry: HF/LANL2DZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	13.947
(<r²>)^1/2	3.735