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	hartrees
Energy at 0K	-93.368657
Energy at 298.15K	-93.368748
HF Energy	-93.368657
Nuclear repulsion energy	23.658717

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	3408	3350	51.82	35.78	0.24	0.38
2	Σ	2131	2094	0.37	51.10	0.15	0.26
3	Π	721	708	50.93	0.79	0.75	0.86
3	Π	721	708	50.93	0.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.507
H2	0.000	0.000	-1.581
N3	0.000	0.000	0.660

	C1	H2	N3
C1		1.0743	1.1667
H2	1.0743		2.2409
N3	1.1667	2.2409

Number	Element	Mulliken
1	C	0.071
2	H	0.238
3	N	-0.309

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

using model chemistry: B97D3/6-31+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>	14.061
(<r²>)^1/2	3.750