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	hartrees
Energy at 0K	-92.766189
Energy at 298.15K	-92.766142
Nuclear repulsion energy	23.750288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3624	3455	152.25
2	Σ	1993	1900	28.48
3	Π	589	561	190.71
3	Π	589	561	190.71

Number	Element	Mulliken
1	C	0.217
2	N	-0.581
3	H	0.364

	x	y	z	Total
	0.000	0.000	3.037	3.037
CHELPG
AIM
ESP

	x	y	z
x	1.122	0.000	0.000
y	0.000	1.122	0.000
z	0.000	0.000	2.856

All results from a given calculation for HNC (hydrogen isocyanide)

using model chemistry: PBEPBE/3-21G*

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>	13.753
(<r²>)^1/2	3.709