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	hartrees
Energy at 0K	-93.340803
Energy at 298.15K	-93.340922
HF Energy	-93.238935
Nuclear repulsion energy	23.727983

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	3505	3505	60.89	29.81	0.23	0.38
2	Σ	2143	2143	0.48	30.03	0.24	0.39
3	Π	757	757	35.88	0.04	0.75	0.86
3	Π	757	757	35.88	0.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.506
H2	0.000	0.000	-1.572
N3	0.000	0.000	0.658

	C1	H2	N3
C1		1.0662	1.1643
H2	1.0662		2.2305
N3	1.1643	2.2305

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

using model chemistry: B2PLYP=FULL/6-31G**

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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