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	hartrees
Energy at 0K	-93.346768
Energy at 298.15K	-93.346869
HF Energy	-93.243877
Nuclear repulsion energy	23.711649

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	3490	3319	70.57	32.66	0.23	0.37
2	Σ	2133	2028	0.50	44.64	0.14	0.25
3	Π	733	697	50.71	0.76	0.75	0.86
3	Π	733	697	50.71	0.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.506
H2	0.000	0.000	-1.574
N3	0.000	0.000	0.659

	C1	H2	N3
C1		1.0676	1.1649
H2	1.0676		2.2326
N3	1.1649	2.2326

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

using model chemistry: B2PLYP=FULL/6-31+G**

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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