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	hartrees
Energy at 0K	-93.166173
Energy at 298.15K	-93.166266
HF Energy	-92.871907
Nuclear repulsion energy	23.505269

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	3532	3308	65.99	33.16	0.24	0.38
2	Σ	2040	1910	0.21	21.38	0.24	0.39
3	Π	725	679	36.07	0.00	0.75	0.86
3	Π	725	679	36.07	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.513
H2	0.000	0.000	-1.578
N3	0.000	0.000	0.665

	C1	H2	N3
C1		1.0649	1.1777
H2	1.0649		2.2426
N3	1.1777	2.2426

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

using model chemistry: MP2/6-31G**

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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