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	hartrees
Energy at 0K	-93.294280
Energy at 298.15K	-93.294362
HF Energy	-92.907842
Nuclear repulsion energy	23.786432

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	3466	3466	77.57	33.92	0.19	0.31
2	Σ	2050	2050	0.16	46.83	0.07	0.12
3	Π	711	711	35.70	0.15	0.75	0.86
3	Π	711	711	35.70	0.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.505
H2	0.000	0.000	-1.565
N3	0.000	0.000	0.657

	C1	H2	N3
C1		1.0599	1.1622
H2	1.0599		2.2221
N3	1.1622	2.2221

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

using model chemistry: MP2=FULL/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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