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	hartrees
Energy at 0K	-168.873919
Energy at 298.15K	-168.873031
HF Energy	-168.476475
Nuclear repulsion energy	74.471455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3469	3341	51.94
2	Σ	2157	2078	5.94
3	Σ	1912	1841	1.58
4	Σ	838	807	0.82
5	Π	673	648	51.48
5	Π	673	648	51.48
6	Π	512	493	1.88
6	Π	512	493	1.88
7	Π	220	212	0.02
7	Π	220	212	0.02

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.968
C2	0.000	0.000	0.749
C3	0.000	0.000	-0.651
C4	0.000	0.000	-1.898
H5	0.000	0.000	-2.971

	N1	C2	C3	C4	H5
N1		1.2195	2.6194	3.8666	4.9390
C2	1.2195		1.3998	2.6470	3.7194
C3	2.6194	1.3998		1.2472	2.3196
C4	3.8666	2.6470	1.2472		1.0724
H5	4.9390	3.7194	2.3196	1.0724

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	C2	C3	180.000		C2	C3	C4	180.000
C3	C4	H5	180.000

All results from a given calculation for HCCCN (Cyanoacetylene)

using model chemistry: MP2/LANL2DZ

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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Number	Element	Mulliken
1	N	-0.097
2	C	-0.006
3	C	0.062
4	C	-0.246
5	H	0.286

<r²>	0.000
(<r²>)^1/2	0.000