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	hartrees
Energy at 0K	-131.419688
Energy at 298.15K	-131.421687
HF Energy	-131.121338
Nuclear repulsion energy	59.057742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3565	3410	30.13
2	A'	3471	3320	61.24
3	A'	2271	2172	77.74
4	A'	1738	1662	47.86
5	A'	1082	1035	20.17
6	A'	552	528	75.29
7	A'	489	468	19.16
8	A'	252	241	438.88
9	A"	3668	3509	30.62
10	A"	1215	1162	5.23
11	A"	765	732	37.26
12	A"	441	422	11.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.058	1.379	0.000
C2	0.000	0.165	0.000
N3	0.082	-1.188	0.000
H4	-0.103	2.444	0.000
H5	-0.064	-1.697	0.862
H6	-0.064	-1.697	-0.862

	C1	C2	N3	H4	H5	H6
C1		1.2153	2.5713	1.0654	3.1953	3.1953
C2	1.2153		1.3560	2.2807	2.0537	2.0537
N3	2.5713	1.3560		3.6366	1.0120	1.0120
H4	1.0654	2.2807	3.6366		4.2302	4.2302
H5	3.1953	2.0537	1.0120	4.2302		1.7243
H6	3.1953	2.0537	1.0120	4.2302	1.7243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	179.237	C2	C1	H4	179.736
C2	N3	H5	119.578	C2	N3	H6	119.578
H5	N3	H6	116.849

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)