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	hartrees
Energy at 0K	-93.373669
Energy at 298.15K	-93.373784
HF Energy	-93.373669
Nuclear repulsion energy	23.646641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3401	3401	48.34
2	Σ	2124	2124	0.41
3	Π	741	741	33.88
3	Π	741	741	33.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.506
H2	0.000	0.000	-1.587
N3	0.000	0.000	0.660

	C1	H2	N3
C1		1.0809	1.1660
H2	1.0809		2.2469
N3	1.1660	2.2469

Number	Element	Mulliken
1	C	0.014
2	H	0.080
3	N	-0.094

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

using model chemistry: B97D3/cc-pCVDZ

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>	13.856
(<r²>)^1/2	3.722