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	hartrees
Energy at 0K	-132.100650
Energy at 298.15K	-132.102332
HF Energy	-131.796516
Nuclear repulsion energy	58.679597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3646	3498	34.28
2	A'	3464	3324	54.34
3	A'	2246	2155	81.48
4	A'	1741	1670	52.16
5	A'	1081	1037	18.77
6	A'	524	503	91.38
7	A'	371	356	22.74
8	A'	235	226	467.46
9	A"	3764	3611	34.85
10	A"	1212	1163	6.78
11	A"	650	623	44.95
12	A"	327	313	6.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.264	1.367	0.000
C2	0.000	0.170	0.000
N3	-0.173	-1.187	0.000
H4	0.357	2.434	0.000
H5	-0.364	-1.674	0.861
H6	-0.364	-1.674	-0.861

	C1	C2	N3	H4	H5	H6
C1		1.2257	2.5911	1.0706	3.2224	3.2224
C2	1.2257		1.3681	2.2914	2.0676	2.0676
N3	2.5911	1.3681		3.6591	1.0077	1.0077
H4	1.0706	2.2914	3.6591		4.2584	4.2584
H5	3.2224	2.0676	1.0077	4.2584		1.7225
H6	3.2224	2.0676	1.0077	4.2584	1.7225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.842	C2	C1	H4	172.573
C2	N3	H5	120.226	C2	N3	H6	120.226
H5	N3	H6	117.455

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCD/6-31G

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/6-31G

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)