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	hartrees
Energy at 0K	-93.344250
Energy at 298.15K	-93.344349
HF Energy	-93.243846
Nuclear repulsion energy	23.705102

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	3488	3322	70.51	32.76	0.23	0.37
2	Σ	2131	2030	0.49	44.66	0.14	0.25
3	Π	730	696	50.77	0.76	0.75	0.86
3	Π	730	696	50.77	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		1.0679	1.1653
H2	1.0679		2.2332
N3	1.1653	2.2332

Number	Element	Mulliken
1	C	0.083
2	H	0.246
3	N	-0.329

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

using model chemistry: B2PLYP/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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<r²>	14.080
(<r²>)^1/2	3.752