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	hartrees
Energy at 0K	-169.113999
Energy at 298.15K	-169.112841
HF Energy	-168.542376
Nuclear repulsion energy	76.034206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3468	3336
2	Σ	2324	2236
3	Σ	2118	2037
4	Σ	883	850
5	Π	575	554
5	Π	575	554
6	Π	414	398
6	Π	414	398
7	Π	217	209
7	Π	217	209

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.924
C2	0.000	0.000	0.746
C3	0.000	0.000	-0.641
C4	0.000	0.000	-1.861
H5	0.000	0.000	-2.933

	N1	C2	C3	C4	H5
N1		1.1778	2.5655	3.7852	4.8566
C2	1.1778		1.3876	2.6074	3.6788
C3	2.5655	1.3876		1.2197	2.2912
C4	3.7852	2.6074	1.2197		1.0714
H5	4.8566	3.6788	2.2912	1.0714

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: CCSD(T)/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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