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	hartrees
Energy at 0K	-93.376251
Energy at 298.15K	-93.376147
Nuclear repulsion energy	24.226223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3897	3721	244.78
2	Σ	2124	2028	57.18
3	Π	542	517	129.85
3	Π	542	517	129.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.738
N2	0.000	0.000	0.429
H3	0.000	0.000	1.424

	C1	N2	H3
C1		1.1678	2.1620
N2	1.1678		0.9942
H3	2.1620	0.9942

Number	Element	Mulliken
1	C	-0.155
2	N	-0.205
3	H	0.360

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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>	13.462
(<r²>)^1/2	3.669