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	hartrees
Energy at 0K	-93.315672
Energy at 298.15K	-93.315759
HF Energy	-93.315672
Nuclear repulsion energy	23.597888

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	3385	3346	59.02	36.12	0.23	0.38
2	Σ	2124	2099	0.35	50.54	0.15	0.26
3	Π	716	708	52.21	0.67	0.75	0.86
3	Π	716	708	52.21	0.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.508
H2	0.000	0.000	-1.586
N3	0.000	0.000	0.662

	C1	H2	N3
C1		1.0788	1.1693
H2	1.0788		2.2481
N3	1.1693	2.2481

Number	Element	Mulliken
1	C	0.074
2	H	0.243
3	N	-0.318

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

using model chemistry: PBEPBE/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>	14.140
(<r²>)^1/2	3.760