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	hartrees
Energy at 0K	-132.349914
Energy at 298.15K	-132.351723
HF Energy	-131.866682
Nuclear repulsion energy	58.455601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3506	3428
2	A'	3454	3378
3	A'	2172	2124
4	A'	1628	1592
5	A'	1039	1016
6	A'	699	684
7	A'	459	449
8	A'	260	254
9	A"	3601	3521
10	A"	1205	1178
11	A"	573	560
12	A"	280	273

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.391	0.000
C2	0.000	0.160	0.000
N3	0.063	-1.218	0.000
H4	0.036	2.467	0.000
H5	-0.358	-1.626	0.834
H6	-0.358	-1.626	-0.834

	C1	C2	N3	H4	H5	H6
C1		1.2312	2.6087	1.0758	3.1551	3.1551
C2	1.2312		1.3795	2.3066	2.0036	2.0036
N3	2.6087	1.3795		3.6844	1.0196	1.0196
H4	1.0758	2.3066	3.6844		4.1952	4.1952
H5	3.1551	2.0036	1.0196	4.1952		1.6685
H6	3.1551	2.0036	1.0196	4.1952	1.6685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.523	C2	C1	H4	177.915
C2	N3	H5	112.401	C2	N3	H6	112.401
H5	N3	H6	109.809

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: QCISD(T)/aug-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: QCISD(T)/aug-cc-pVDZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)