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	hartrees
Energy at 0K	-132.644396
Energy at 298.15K	-132.646543
HF Energy	-132.454545
Nuclear repulsion energy	59.524802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3567	3567	18.99
2	A'	3495	3495	91.42
3	A'	2218	2218	123.40
4	A'	1650	1650	27.48
5	A'	1080	1080	16.16
6	A'	618	618	182.35
7	A'	501	501	114.71
8	A'	425	425	7.45
9	A"	3657	3657	43.49
10	A"	1202	1202	0.28
11	A"	691	691	40.92
12	A"	363	363	8.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	1.365	0.000
C2	0.000	0.161	0.000
N3	0.093	-1.187	0.000
H4	-0.039	2.424	0.000
H5	-0.254	-1.635	0.834
H6	-0.254	-1.635	-0.834

	C1	C2	N3	H4	H5	H6
C1		1.2047	2.5548	1.0590	3.1227	3.1227
C2	1.2047		1.3510	2.2637	1.9958	1.9958
N3	2.5548	1.3510		3.6136	1.0082	1.0082
H4	1.0590	2.2637	3.6136		4.1490	4.1490
H5	3.1227	1.9958	1.0082	4.1490		1.6689
H6	3.1227	1.9958	1.0082	4.1490	1.6689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.874	C2	C1	H4	179.600
C2	N3	H5	114.774	C2	N3	H6	114.774
H5	N3	H6	111.714

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: B2PLYP=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)