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	hartrees
Energy at 0K	-132.396665
Energy at 298.15K	-132.399068
HF Energy	-131.866375
Nuclear repulsion energy	59.643866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3642	3642	21.62
2	A'	3591	3591	89.66
3	A'	2328	2328	72.78
4	A'	1684	1684	28.11
5	A'	1094	1094	11.01
6	A'	717	717	211.81
7	A'	592	592	65.14
8	A'	495	495	34.64
9	A"	3731	3731	34.75
10	A"	1241	1241	0.03
11	A"	761	761	34.05
12	A"	422	422	6.75

Atom	x (Å)	y (Å)	z (Å)
C1	-0.091	1.357	0.000
C2	0.000	0.163	0.000
N3	0.162	-1.183	0.000
H4	-0.169	2.411	0.000
H5	-0.209	-1.624	0.825
H6	-0.209	-1.624	-0.825

	C1	C2	N3	H4	H5	H6
C1		1.1978	2.5527	1.0569	3.0953	3.0953
C2	1.1978		1.3555	2.2548	1.9790	1.9790
N3	2.5527	1.3555		3.6094	1.0065	1.0065
H4	1.0569	2.2548	3.6094		4.1187	4.1187
H5	3.0953	1.9790	1.0065	4.1187		1.6508
H6	3.0953	1.9790	1.0065	4.1187	1.6508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.493	C2	C1	H4	179.902
C2	N3	H5	113.000	C2	N3	H6	113.000
H5	N3	H6	110.181

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)