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	hartrees
Energy at 0K	-132.536042
Energy at 298.15K	-132.538010
HF Energy	-132.394505
Nuclear repulsion energy	59.162551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3544	3362	6.45
2	A'	3531	3349	79.00
3	A'	2247	2131	70.60
4	A'	1692	1605	29.07
5	A'	1084	1028	9.74
6	A'	702	666	254.49
7	A'	483	458	65.55
8	A'	303	287	30.90
9	A"	3636	3449	22.73
10	A"	1234	1170	0.05
11	A"	628	596	35.58
12	A"	338	321	2.42

Atom	x (Å)	y (Å)	z (Å)
C1	-0.004	1.374	0.000
C2	0.000	0.161	0.000
N3	0.094	-1.197	0.000
H4	-0.060	2.435	0.000
H5	-0.289	-1.630	0.833
H6	-0.289	-1.630	-0.833

	C1	C2	N3	H4	H5	H6
C1		1.2126	2.5728	1.0631	3.1302	3.1302
C2	1.2126		1.3617	2.2749	1.9964	1.9964
N3	2.5728	1.3617		3.6358	1.0137	1.0137
H4	1.0631	2.2749	3.6358		4.1563	4.1563
H5	3.1302	1.9964	1.0137	4.1563		1.6654
H6	3.1302	1.9964	1.0137	4.1563	1.6654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.214	C2	C1	H4	177.197
C2	N3	H5	113.570	C2	N3	H6	113.570
H5	N3	H6	110.452

All results from a given calculation for HCCNH₂ (Ethynamine)

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

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)