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	hartrees
Energy at 0K	-132.301945
Energy at 298.15K	-132.304138
HF Energy	-131.859794
Nuclear repulsion energy	58.689396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3549	3395	10.07
2	A'	3501	3349	74.60
3	A'	2259	2161	64.20
4	A'	1653	1581	21.31
5	A'	1062	1016	7.79
6	A'	801	766	198.42
7	A'	533	510	71.27
8	A'	391	374	8.76
9	A"	3638	3480	19.63
10	A"	1242	1188	0.73
11	A"	669	640	33.15
12	A"	349	334	3.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.074	1.380	0.000
C2	0.000	0.162	0.000
N3	0.162	-1.208	0.000
H4	-0.147	2.453	0.000
H5	-0.271	-1.623	0.826
H6	-0.271	-1.623	-0.826

	C1	C2	N3	H4	H5	H6
C1		1.2206	2.5987	1.0752	3.1202	3.1202
C2	1.2206		1.3791	2.2958	1.9846	1.9846
N3	2.5987	1.3791		3.6737	1.0205	1.0205
H4	1.0752	2.2958	3.6737		4.1598	4.1598
H5	3.1202	1.9846	1.0205	4.1598		1.6520
H6	3.1202	1.9846	1.0205	4.1598	1.6520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.731	C2	C1	H4	179.544
C2	N3	H5	110.708	C2	N3	H6	110.708
H5	N3	H6	108.071

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)