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	hartrees
Energy at 0K	-93.401819
Energy at 298.15K	-93.401945
HF Energy	-93.401819
Nuclear repulsion energy	23.912069

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	3473	3473	78.27	25.53	0.23	0.38
2	Σ	2249	2249	3.33	61.49	0.08	0.15
3	Π	759	759	37.17	0.24	0.75	0.86
3	Π	759	759	37.17	0.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.499
H2	0.000	0.000	-1.574
N3	0.000	0.000	0.653

	C1	H2	N3
C1		1.0742	1.1520
H2	1.0742		2.2263
N3	1.1520	2.2263

Number	Element	Mulliken
1	C	0.381
2	H	-0.045
3	N	-0.337

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

using model chemistry: M06-2X/aug-cc-pVDZ

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>	13.901
(<r²>)^1/2	3.728