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	hartrees
Energy at 0K	-131.773032
Energy at 298.15K
HF Energy	-131.674624
Nuclear repulsion energy	59.405425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3572	3572	32.11
2	A'	3532	3532	82.53
3	A'	2261	2261	91.81
4	A'	1714	1714	48.90
5	A'	1121	1121	18.91
6	A'	633	633	102.90
7	A'	546	546	17.83
8	A'	273	273	413.37
9	A"	3676	3676	42.31
10	A"	1193	1193	7.85
11	A"	850	850	30.25
12	A"	466	466	17.76

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	1.374	0.000
C2	0.000	0.161	0.000
N3	-0.000	-1.178	0.000
H4	0.001	2.433	0.000
H5	0.001	-1.699	0.865
H6	0.001	-1.699	-0.865

	C1	C2	N3	H4	H5	H6
C1		1.2139	2.5523	1.0585	3.1931	3.1931
C2	1.2139		1.3384	2.2724	2.0511	2.0511
N3	2.5523	1.3384		3.6108	1.0102	1.0102
H4	1.0585	2.2724	3.6108		4.2217	4.2217
H5	3.1931	2.0511	1.0102	4.2217		1.7305
H6	3.1931	2.0511	1.0102	4.2217	1.7305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	179.986	C2	C1	H4	179.938
C2	N3	H5	121.071	C2	N3	H6	121.071
H5	N3	H6	117.858

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/3-21G

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)