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	hartrees
Energy at 0K	-93.366656
Energy at 298.15K	-93.366781
HF Energy	-93.247143
Nuclear repulsion energy	23.676987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3479	3479	68.10
2	Σ	2122	2122	0.32
3	Π	753	753	34.88
3	Π	753	753	34.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.506
H2	0.000	0.000	-1.582
N3	0.000	0.000	0.659

	C1	H2	N3
C1		1.0760	1.1653
H2	1.0760		2.2412
N3	1.1653	2.2412

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

using model chemistry: B2PLYP=FULL/cc-pCVDZ

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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