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	hartrees
Energy at 0K	-93.467334
Energy at 298.15K	-93.467461
HF Energy	-93.467334
Nuclear repulsion energy	23.986987

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	3429	3429	58.94	29.59	0.23	0.38
2	Σ	2176	2176	0.64	52.00	0.11	0.20
3	Π	762	762	38.56	0.33	0.75	0.86
3	Π	762	762	38.56	0.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.498
H2	0.000	0.000	-1.566
N3	0.000	0.000	0.651

	C1	H2	N3
C1		1.0672	1.1492
H2	1.0672		2.2164
N3	1.1492	2.2164

Number	Element	Mulliken
1	C	-0.099
2	H	0.229
3	N	-0.130

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

using model chemistry: TPSSh/cc-pVQZ

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>	13.788
(<r²>)^1/2	3.713