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	hartrees
Energy at 0K	-93.429726
Energy at 298.15K	-93.429866
HF Energy	-93.429726
Nuclear repulsion energy	24.079080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3461	3461	65.39
2	Σ	2224	2224	1.40
3	Π	775	775	35.58
3	Π	775	775	35.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.496
H2	0.000	0.000	-1.562
N3	0.000	0.000	0.648

	C1	H2	N3
C1		1.0665	1.1441
H2	1.0665		2.2106
N3	1.1441	2.2106

Number	Element	Mulliken
1	C	-0.058
2	H	0.157
3	N	-0.099

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

using model chemistry: mPW1PW91/cc-pCVTZ

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>	13.690
(<r²>)^1/2	3.700