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	hartrees
Energy at 0K	-132.605609
Energy at 298.15K
HF Energy	-132.440008
Nuclear repulsion energy	59.384011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3561	3561	13.66
2	A'	3512	3512	84.81
3	A'	2228	2228	92.12
4	A'	1654	1654	30.23
5	A'	1078	1078	12.50
6	A'	671	671	221.60
7	A'	507	507	100.31
8	A'	411	411	8.88
9	A"	3649	3649	28.37
10	A"	1217	1217	0.00
11	A"	693	693	37.29
12	A"	362	362	6.94

Atom	x (Å)	y (Å)	z (Å)
C1	-0.027	1.368	0.000
C2	0.000	0.161	0.000
N3	0.106	-1.191	0.000
H4	-0.062	2.427	0.000
H5	-0.261	-1.629	0.834
H6	-0.261	-1.629	-0.834

	C1	C2	N3	H4	H5	H6
C1		1.2076	2.5626	1.0601	3.1197	3.1197
C2	1.2076		1.3560	2.2677	1.9915	1.9915
N3	2.5626	1.3560		3.6226	1.0105	1.0105
H4	1.0601	2.2677	3.6226		4.1462	4.1462
H5	3.1197	1.9915	1.0105	4.1462		1.6671
H6	3.1197	1.9915	1.0105	4.1462	1.6671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.773	C2	C1	H4	179.355
C2	N3	H5	113.810	C2	N3	H6	113.810
H5	N3	H6	111.156

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: B2PLYP=FULLultrafine/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)