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	hartrees
Energy at 0K	-132.254026
Energy at 298.15K	-132.256342
HF Energy	-131.861394
Nuclear repulsion energy	59.074453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3634	3358	16.27
2	A'	3568	3297	85.74
3	A'	2322	2146	76.69
4	A'	1684	1556	23.50
5	A'	1092	1009	10.67
6	A'	788	728	206.16
7	A'	569	526	77.75
8	A'	436	403	13.44
9	A"	3724	3441	28.57
10	A"	1263	1167	0.52
11	A"	726	671	33.78
12	A"	377	348	4.80

Atom	x (Å)	y (Å)	z (Å)
C1	-0.092	1.370	0.000
C2	0.000	0.162	0.000
N3	0.172	-1.197	0.000
H4	-0.180	2.436	0.000
H5	-0.236	-1.622	0.825
H6	-0.236	-1.622	-0.825

	C1	C2	N3	H4	H5	H6
C1		1.2110	2.5804	1.0697	3.1066	3.1066
C2	1.2110		1.3702	2.2807	1.9798	1.9798
N3	2.5804	1.3702		3.6499	1.0140	1.0140
H4	1.0697	2.2807	3.6499		4.1411	4.1411
H5	3.1066	1.9798	1.0140	4.1411		1.6502
H6	3.1066	1.9798	1.0140	4.1411	1.6502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.143	C2	C1	H4	179.667
C2	N3	H5	111.404	C2	N3	H6	111.404
H5	N3	H6	108.920

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CID/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)