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	hartrees
Energy at 0K	-132.274002
Energy at 298.15K	-132.276278
HF Energy	-131.877182
Nuclear repulsion energy	59.561189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3674	3414	16.59
2	A'	3558	3305	76.28
3	A'	2324	2159	85.69
4	A'	1761	1636	40.91
5	A'	1099	1021	11.21
6	A'	751	697	262.16
7	A'	533	495	105.71
8	A'	437	406	10.21
9	A"	3764	3497	25.60
10	A"	1285	1194	0.00
11	A"	710	659	41.37
12	A"	385	358	6.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.049	1.361	0.000
C2	0.000	0.164	0.000
N3	0.126	-1.190	0.000
H4	-0.106	2.420	0.000
H5	-0.242	-1.622	0.829
H6	-0.242	-1.622	-0.829

	C1	C2	N3	H4	H5	H6
C1		1.1985	2.5573	1.0600	3.1021	3.1021
C2	1.1985		1.3596	2.2585	1.9832	1.9832
N3	2.5573	1.3596		3.6172	1.0041	1.0041
H4	1.0600	2.2585	3.6172		4.1278	4.1278
H5	3.1021	1.9832	1.0041	4.1278		1.6573
H6	3.1021	1.9832	1.0041	4.1278	1.6573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.010	C2	C1	H4	179.193
C2	N3	H5	113.222	C2	N3	H6	113.222
H5	N3	H6	111.231

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CID/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: CID/6-311G*

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)