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	hartrees
Energy at 0K	-131.404420
Energy at 298.15K	-131.406298
HF Energy	-131.120898
Nuclear repulsion energy	59.007303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3585	3421	43.03
2	A'	3515	3355	67.96
3	A'	2235	2133	79.94
4	A'	1744	1664	46.87
5	A'	1084	1035	18.87
6	A'	517	493	29.89
7	A'	435	415	59.46
8	A'	219	209	438.55
9	A"	3696	3527	41.58
10	A"	1216	1160	6.33
11	A"	740	706	40.96
12	A"	438	418	11.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.036	1.384	0.000
C2	0.000	0.162	0.000
N3	0.059	-1.189	0.000
H4	-0.070	2.445	0.000
H5	-0.066	-1.700	0.863
H6	-0.066	-1.700	-0.863

	C1	C2	N3	H4	H5	H6
C1		1.2220	2.5748	1.0620	3.2030	3.2030
C2	1.2220		1.3529	2.2840	2.0541	2.0541
N3	2.5748	1.3529		3.6368	1.0108	1.0108
H4	1.0620	2.2840	3.6368		4.2347	4.2347
H5	3.2030	2.0541	1.0108	4.2347		1.7258
H6	3.2030	2.0541	1.0108	4.2347	1.7258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	179.156	C2	C1	H4	179.823
C2	N3	H5	119.998	C2	N3	H6	119.998
H5	N3	H6	117.220

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)