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	hartrees
Energy at 0K	-132.305703
Energy at 298.15K	-132.307853
HF Energy	-131.859459
Nuclear repulsion energy	58.634342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3538	3352	9.35
2	A'	3494	3310	72.86
3	A'	2238	2120	62.08
4	A'	1649	1563	20.50
5	A'	1059	1003	7.12
6	A'	796	754	196.25
7	A'	515	488	72.78
8	A'	377	358	8.34
9	A"	3627	3436	18.83
10	A"	1239	1174	0.80
11	A"	663	628	32.07
12	A"	340	322	3.62

Atom	x (Å)	y (Å)	z (Å)
C1	-0.073	1.382	0.000
C2	0.000	0.161	0.000
N3	0.161	-1.209	0.000
H4	-0.145	2.455	0.000
H5	-0.272	-1.624	0.827
H6	-0.272	-1.624	-0.827

	C1	C2	N3	H4	H5	H6
C1		1.2230	2.6015	1.0755	3.1234	3.1234
C2	1.2230		1.3795	2.2985	1.9855	1.9855
N3	2.6015	1.3795		3.6767	1.0210	1.0210
H4	1.0755	2.2985	3.6767		4.1633	4.1633
H5	3.1234	1.9855	1.0210	4.1633		1.6531
H6	3.1234	1.9855	1.0210	4.1633	1.6531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.716	C2	C1	H4	179.555
C2	N3	H5	110.721	C2	N3	H6	110.721
H5	N3	H6	108.113

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCSD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)