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	hartrees
Energy at 0K	-132.550622
Energy at 298.15K
HF Energy	-132.403963
Nuclear repulsion energy	59.220077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3577	3577	11.37
2	A'	3535	3535	79.56
3	A'	2247	2247	73.21
4	A'	1667	1667	27.16
5	A'	1085	1085	10.82
6	A'	679	679	237.20
7	A'	484	484	76.35
8	A'	320	320	26.66
9	A"	3675	3675	24.46
10	A"	1218	1218	0.03
11	A"	639	639	35.69
12	A"	345	345	2.62

Atom	x (Å)	y (Å)	z (Å)
C1	-0.043	1.372	0.000
C2	0.000	0.160	0.000
N3	0.122	-1.194	0.000
H4	-0.101	2.432	0.000
H5	-0.247	-1.634	0.832
H6	-0.247	-1.634	-0.832

	C1	C2	N3	H4	H5	H6
C1		1.2128	2.5717	1.0610	3.1262	3.1262
C2	1.2128		1.3599	2.2737	1.9934	1.9934
N3	2.5717	1.3599		3.6327	1.0110	1.0110
H4	1.0610	2.2737	3.6327		4.1527	4.1527
H5	3.1262	1.9934	1.0110	4.1527		1.6640
H6	3.1262	1.9934	1.0110	4.1527	1.6640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.885	C2	C1	H4	178.882
C2	N3	H5	113.626	C2	N3	H6	113.626
H5	N3	H6	110.765

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G**

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)