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	hartrees
Energy at 0K	-131.409461
Energy at 298.15K	-131.411315
HF Energy	-131.120960
Nuclear repulsion energy	59.016850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3586	3400	43.69
2	A'	3515	3332	67.98
3	A'	2236	2120	80.45
4	A'	1743	1653	47.14
5	A'	1085	1028	19.05
6	A'	516	489	28.70
7	A'	430	408	60.31
8	A'	211	200	439.65
9	A"	3697	3505	42.00
10	A"	1215	1151	6.47
11	A"	738	700	40.98
12	A"	437	414	11.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.034	1.384	0.000
C2	0.000	0.162	0.000
N3	0.057	-1.189	0.000
H4	-0.067	2.445	0.000
H5	-0.064	-1.701	0.863
H6	-0.064	-1.701	-0.863

	C1	C2	N3	H4	H5	H6
C1		1.2219	2.5743	1.0619	3.2032	3.2032
C2	1.2219		1.3525	2.2838	2.0543	2.0543
N3	2.5743	1.3525		3.6363	1.0106	1.0106
H4	1.0619	2.2838	3.6363		4.2349	4.2349
H5	3.2032	2.0543	1.0106	4.2349		1.7260
H6	3.2032	2.0543	1.0106	4.2349	1.7260

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	179.180	C2	C1	H4	179.801
C2	N3	H5	120.069	C2	N3	H6	120.069
H5	N3	H6	117.280

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP2=FULL/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: MP2=FULL/3-21G*

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)