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	hartrees
Energy at 0K	-93.423073
Energy at 298.15K	-93.423205
HF Energy	-93.423073
Nuclear repulsion energy	24.095937

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	3458	3458	67.68	25.08	0.23	0.37
2	Σ	2230	2230	2.34	65.22	0.06	0.12
3	Π	773	773	36.64	0.30	0.75	0.86
3	Π	773	773	36.64	0.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.495
H2	0.000	0.000	-1.562
N3	0.000	0.000	0.648

	C1	H2	N3
C1		1.0662	1.1432
H2	1.0662		2.2094
N3	1.1432	2.2094

Number	Element	Mulliken
1	C	-0.825
2	H	1.677
3	N	-0.851

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

using model chemistry: wB97X-D/daug-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>	13.735
(<r²>)^1/2	3.706