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	hartrees
Energy at 0K	-132.397033
Energy at 298.15K	-132.399130
HF Energy	-131.864666
Nuclear repulsion energy	59.164347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3566	3566
2	A'	3531	3531
3	A'	2237	2237
4	A'	1660	1660
5	A'	1061	1061
6	A'	741	741
7	A'	499	499
8	A'	371	371
9	A"	3656	3656
10	A"	1223	1223
11	A"	651	651
12	A"	338	338

Atom	x (Å)	y (Å)	z (Å)
C1	-0.032	1.372	0.000
C2	0.000	0.162	0.000
N3	0.121	-1.200	0.000
H4	-0.079	2.432	0.000
H5	-0.287	-1.619	0.826
H6	-0.287	-1.619	-0.826

	C1	C2	N3	H4	H5	H6
C1		1.2106	2.5764	1.0615	3.1132	3.1132
C2	1.2106		1.3670	2.2720	1.9838	1.9838
N3	2.5764	1.3670		3.6377	1.0122	1.0122
H4	1.0615	2.2720	3.6377		4.1398	4.1398
H5	3.1132	1.9838	1.0122	4.1398		1.6525
H6	3.1132	1.9838	1.0122	4.1398	1.6525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.456	C2	C1	H4	179.034
C2	N3	H5	112.123	C2	N3	H6	112.123
H5	N3	H6	109.427

All results from a given calculation for HCCNH₂ (Ethynamine)

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

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)