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	hartrees
Energy at 0K	-132.493849
Energy at 298.15K	-132.496093
HF Energy	-131.904935
Nuclear repulsion energy	59.708110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3626	3626	22.92
2	A'	3541	3541	91.38
3	A'	2296	2296	115.58
4	A'	1678	1678	28.15
5	A'	1091	1091	17.09
6	A'	670	670	178.37
7	A'	536	536	98.58
8	A'	443	443	16.10
9	A"	3704	3704	43.17
10	A"	1227	1227	0.78
11	A"	706	706	39.38
12	A"	375	375	6.82

Atom	x (Å)	y (Å)	z (Å)
C1	-0.074	1.358	0.000
C2	0.000	0.163	0.000
N3	0.144	-1.183	0.000
H4	-0.137	2.409	0.000
H5	-0.213	-1.624	0.829
H6	-0.213	-1.624	-0.829

	C1	C2	N3	H4	H5	H6
C1		1.1972	2.5505	1.0527	3.0977	3.0977
C2	1.1972		1.3539	2.2499	1.9810	1.9810
N3	2.5505	1.3539		3.6030	1.0040	1.0040
H4	1.0527	2.2499	3.6030		4.1174	4.1174
H5	3.0977	1.9810	1.0040	4.1174		1.6575
H6	3.0977	1.9810	1.0040	4.1174	1.6575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.447	C2	C1	H4	179.882
C2	N3	H5	113.481	C2	N3	H6	113.481
H5	N3	H6	111.273

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP3=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)