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	hartrees
Energy at 0K	-168.815826
Energy at 298.15K	-168.814494
Nuclear repulsion energy	76.274103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3526	3298	58.70
2	Σ	2450	2291	28.20
3	Σ	2203	2060	0.42
4	Σ	901	843	0.01
5	Π	692	647	61.51
5	Π	692	647	61.51
6	Π	295	276	0.01
6	Π	295	276	0.01
7	Π	197	184	0.48
7	Π	197	184	0.48

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.918
C2	0.000	0.000	0.747
C3	0.000	0.000	-0.643
C4	0.000	0.000	-1.856
H5	0.000	0.000	-2.923

	N1	C2	C3	C4	H5
N1		1.1710	2.5610	3.7741	4.8410
C2	1.1710		1.3900	2.6030	3.6699
C3	2.5610	1.3900		1.2131	2.2800
C4	3.7741	2.6030	1.2131		1.0669
H5	4.8410	3.6699	2.2800	1.0669

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: CID/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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Number	Element	Mulliken
1	N	-0.207
2	C	0.205
3	C	-0.127
4	C	-0.281
5	H	0.410

<r²>	0.000
(<r²>)^1/2	0.000