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	hartrees
Energy at 0K	-93.420393
Energy at 298.15K	-93.420529
HF Energy	-93.420393
Nuclear repulsion energy	24.091000

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	3449	3449	67.12	23.97	0.23	0.37
2	Σ	2228	2228	2.36	59.89	0.08	0.15
3	Π	775	775	37.08	0.43	0.75	0.86
3	Π	775	775	37.08	0.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.495
H2	0.000	0.000	-1.562
N3	0.000	0.000	0.648

	C1	H2	N3
C1		1.0670	1.1433
H2	1.0670		2.2103
N3	1.1433	2.2103

Number	Element	Mulliken
1	C	0.370
2	H	0.271
3	N	-0.642

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

using model chemistry: wB97X-D/6-311+G(3df,2p)

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>	13.754
(<r²>)^1/2	3.709