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	hartrees
Energy at 0K	-93.188773
Energy at 298.15K	-93.188858
HF Energy	-92.882653
Nuclear repulsion energy	23.392191

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	3462	3355	74.62	38.44	0.19	0.32
2	Σ	1995	1934	0.52	44.74	0.08	0.15
3	Π	710	688	38.65	0.18	0.75	0.86
3	Π	710	688	38.65	0.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.514
H2	0.000	0.000	-1.591
N3	0.000	0.000	0.668

	C1	H2	N3
C1		1.0772	1.1819
H2	1.0772		2.2591
N3	1.1819	2.2591

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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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