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	hartrees
Energy at 0K	-93.284605
Energy at 298.15K	-93.284749
HF Energy	-93.284605
Nuclear repulsion energy	23.692028

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	3523	3370	60.01	28.60	0.22	0.36
2	Σ	2172	2078	2.43	33.69	0.24	0.39
3	Π	791	757	61.53	0.28	0.75	0.86
3	Π	791	757	61.53	0.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.507
H2	0.000	0.000	-1.573
N3	0.000	0.000	0.659

	C1	H2	N3
C1		1.0662	1.1664
H2	1.0662		2.2326
N3	1.1664	2.2326

Number	Element	Mulliken
1	C	-0.015
2	H	0.286
3	N	-0.271

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

using model chemistry: HSEh1PBE/6-31G

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>	13.908
(<r²>)^1/2	3.729