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	hartrees
Energy at 0K	-132.639266
Energy at 298.15K	-132.641429
HF Energy	-132.455514
Nuclear repulsion energy	59.543000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3559	3402	16.21
2	A'	3507	3352	88.93
3	A'	2228	2130	102.80
4	A'	1654	1580	26.36
5	A'	1080	1032	13.62
6	A'	653	624	198.15
7	A'	498	476	103.41
8	A'	421	402	9.12
9	A"	3647	3486	35.06
10	A"	1214	1160	0.11
11	A"	684	653	39.36
12	A"	365	349	7.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.364	0.000
C2	0.000	0.161	0.000
N3	0.102	-1.188	0.000
H4	-0.052	2.421	0.000
H5	-0.260	-1.628	0.832
H6	-0.260	-1.628	-0.832

	C1	C2	N3	H4	H5	H6
C1		1.2042	2.5554	1.0570	3.1149	3.1149
C2	1.2042		1.3522	2.2612	1.9894	1.9894
N3	2.5554	1.3522		3.6123	1.0078	1.0078
H4	1.0570	2.2612	3.6123		4.1388	4.1388
H5	3.1149	1.9894	1.0078	4.1388		1.6630
H6	3.1149	1.9894	1.0078	4.1388	1.6630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.802	C2	C1	H4	179.557
C2	N3	H5	114.116	C2	N3	H6	114.116
H5	N3	H6	111.200

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: B2PLYP=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)