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	hartrees
Energy at 0K	-169.182212
Energy at 298.15K	-169.181420
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3520	3328	77.32
2	Σ	2412	2281	17.13
3	Σ	2183	2064	4.43
4	Σ	888	840	0.09
5	Π	685	647	38.31
5	Π	685	647	38.31
6	Π	526	498	4.08
6	Π	526	498	4.08
7	Π	232	220	0.56
7	Π	232	220	0.56

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.904
C2	0.000	0.000	0.747
C3	0.000	0.000	-0.639
C4	0.000	0.000	-1.844
H5	0.000	0.000	-2.908

	N1	C2	C3	C4	H5
N1		1.1577	2.5435	3.7485	4.8118
C2	1.1577		1.3858	2.5909	3.6541
C3	2.5435	1.3858		1.2050	2.2683
C4	3.7485	2.5909	1.2050		1.0633
H5	4.8118	3.6541	2.2683	1.0633

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/6-31G(2df,p)

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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