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	hartrees
Energy at 0K	-93.440459
Energy at 298.15K	-93.440249
HF Energy	-93.440459
Nuclear repulsion energy	24.272746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3799	3675	254.34
2	Σ	2103	2035	72.53
3	Π	469	454	130.43
3	Π	469	454	130.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.736
N2	0.000	0.000	0.427
H3	0.000	0.000	1.424

	C1	N2	H3
C1		1.1632	2.1602
N2	1.1632		0.9970
H3	2.1602	0.9970

Number	Element	Mulliken
1	C	-0.325
2	N	0.088
3	H	0.237

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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>	13.818
(<r²>)^1/2	3.717