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	hartrees
Energy at 0K	-132.375170
Energy at 298.15K	-132.377370
HF Energy	-131.865520
Nuclear repulsion energy	59.332658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3594	3398	16.10
2	A'	3549	3356	81.48
3	A'	2280	2156	59.92
4	A'	1674	1583	25.82
5	A'	1073	1015	8.45
6	A'	742	701	207.36
7	A'	524	496	81.32
8	A'	414	391	8.94
9	A"	3684	3483	28.43
10	A"	1235	1168	0.19
11	A"	686	648	34.95
12	A"	357	338	3.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.058	1.366	0.000
C2	0.000	0.163	0.000
N3	0.140	-1.194	0.000
H4	-0.122	2.425	0.000
H5	-0.255	-1.621	0.826
H6	-0.255	-1.621	-0.826

	C1	C2	N3	H4	H5	H6
C1		1.2044	2.5681	1.0602	3.1058	3.1058
C2	1.2044		1.3646	2.2646	1.9828	1.9828
N3	2.5681	1.3646		3.6282	1.0103	1.0103
H4	1.0602	2.2646	3.6282		4.1314	4.1314
H5	3.1058	1.9828	1.0103	4.1314		1.6518
H6	3.1058	1.9828	1.0103	4.1314	1.6518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.878	C2	C1	H4	179.346
C2	N3	H5	112.352	C2	N3	H6	112.352
H5	N3	H6	109.672

All results from a given calculation for HCCNH₂ (Ethynamine)

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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All results from a given calculation for HCCNH2 (Ethynamine)

using model chemistry: CCSD/6-31G(2df,p)

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)