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	hartrees
Energy at 0K	-132.582881
Energy at 298.15K
HF Energy	-132.413673
Nuclear repulsion energy	59.473132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3568	3568	8.29
2	A'	3550	3550	91.97
3	A'	2252	2252	73.66
4	A'	1655	1655	23.57
5	A'	1082	1082	10.32
6	A'	684	684	202.69
7	A'	505	505	86.68
8	A'	429	429	11.96
9	A"	3656	3656	29.55
10	A"	1214	1214	0.02
11	A"	695	695	33.60
12	A"	380	380	5.42

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	1.365	0.000
C2	0.000	0.160	0.000
N3	0.124	-1.188	0.000
H4	-0.096	2.422	0.000
H5	-0.248	-1.629	0.829
H6	-0.248	-1.629	-0.829

	C1	C2	N3	H4	H5	H6
C1		1.2057	2.5587	1.0582	3.1134	3.1134
C2	1.2057		1.3539	2.2638	1.9877	1.9877
N3	2.5587	1.3539		3.6167	1.0101	1.0101
H4	1.0582	2.2638	3.6167		4.1380	4.1380
H5	3.1134	1.9877	1.0101	4.1380		1.6585
H6	3.1134	1.9877	1.0101	4.1380	1.6585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.935	C2	C1	H4	179.487
C2	N3	H5	113.654	C2	N3	H6	113.654
H5	N3	H6	110.359

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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(2df,p)

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)