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	hartrees
Energy at 0K	-93.050817
Energy at 298.15K	-93.050905
HF Energy	-92.828283
Nuclear repulsion energy	22.921895

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	3461	3341	51.35	42.34	0.20	0.34
2	Σ	1845	1781	1.53	24.25	0.20	0.33
3	Π	723	698	60.99	0.58	0.75	0.86
3	Π	723	698	60.99	0.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.529
H2	0.000	0.000	-1.603
N3	0.000	0.000	0.682

	C1	H2	N3
C1		1.0743	1.2115
H2	1.0743		2.2857
N3	1.2115	2.2857

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

using model chemistry: MP2/SDD

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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