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	hartrees
Energy at 0K	-26.892984
Energy at 298.15K	-26.891950
HF Energy	-26.519738
Nuclear repulsion energy	34.871734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3455	3338	51.09
2	Σ	2130	2059	6.31
3	Σ	1883	1820	2.22
4	Σ	831	803	1.03
5	Π	657	635	69.72
5	Π	657	635	69.72
6	Π	459	443	0.00
6	Π	459	443	0.00
7	Π	204	197	0.29
7	Π	204	197	0.29

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	2.001
C2	0.000	0.000	0.767
C3	0.000	0.000	-0.660
C4	0.000	0.000	-1.939
H5	0.000	0.000	-3.015

	N1	C2	C3	C4	H5
N1		1.2346	2.6618	3.9404	5.0163
C2	1.2346		1.4272	2.7058	3.7817
C3	2.6618	1.4272		1.2786	2.3545
C4	3.9404	2.7058	1.2786		1.0759
H5	5.0163	3.7817	2.3545	1.0759

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/CEP-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	0.293
2	C	-0.230
3	C	-0.222
4	C	-0.211
5	H	0.370

<r²>	0.000
(<r²>)^1/2	0.000