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	hartrees
Energy at 0K	-131.867118
Energy at 298.15K	-131.869616
HF Energy	-131.867118
Nuclear repulsion energy	60.062002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3772	3415	25.52
2	A'	3660	3314	89.47
3	A'	2426	2197	84.33
4	A'	1778	1610	30.35
5	A'	1129	1022	13.29
6	A'	739	669	218.37
7	A'	648	587	79.33
8	A'	513	465	40.23
9	A"	3866	3501	39.48
10	A"	1311	1187	0.09
11	A"	833	754	36.81
12	A"	428	388	6.61

Atom	x (Å)	y (Å)	z (Å)
C1	-0.101	1.345	0.000
C2	0.000	0.167	0.000
N3	0.164	-1.176	0.000
H4	-0.190	2.395	0.000
H5	-0.178	-1.621	0.823
H6	-0.178	-1.621	-0.823

	C1	C2	N3	H4	H5	H6
C1		1.1825	2.5351	1.0529	3.0792	3.0792
C2	1.1825		1.3531	2.2354	1.9764	1.9764
N3	2.5351	1.3531		3.5879	0.9965	0.9965
H4	1.0529	2.2354	3.5879		4.0988	4.0988
H5	3.0792	1.9764	0.9965	4.0988		1.6463
H6	3.0792	1.9764	0.9965	4.0988	1.6463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.913	C2	C1	H4	179.945
C2	N3	H5	113.664	C2	N3	H6	113.664
H5	N3	H6	111.399

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.241
2	C	0.095
3	N	-0.690
4	H	0.234
5	H	0.301
6	H	0.301

	x	y	z	Total
	-1.112	-1.247	0.000	1.671
CHELPG
AIM
ESP

	x	y	z
x	2.176	-0.204	0.000
y	-0.204	5.894	0.000
z	0.000	0.000	2.493

<r²>	43.512
(<r²>)^1/2	6.596

All results from a given calculation for HCCNH2 (Ethynamine)

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

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)