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	hartrees
Energy at 0K	-132.325242
Energy at 298.15K	-132.327337
HF Energy	-131.875661
Nuclear repulsion energy	59.144115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3576	3410	10.42
2	A'	3479	3317	65.24
3	A'	2242	2138	70.73
4	A'	1728	1647	37.88
5	A'	1067	1018	8.12
6	A'	762	727	258.66
7	A'	495	472	80.17
8	A'	361	345	18.87
9	A"	3664	3494	17.55
10	A"	1262	1203	0.05
11	A"	641	611	39.78
12	A"	343	327	4.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	1.373	0.000
C2	0.000	0.163	0.000
N3	0.089	-1.202	0.000
H4	-0.033	2.438	0.000
H5	-0.308	-1.618	0.831
H6	-0.308	-1.618	-0.831

	C1	C2	N3	H4	H5	H6
C1		1.2100	2.5763	1.0656	3.1197	3.1197
C2	1.2100		1.3678	2.2752	1.9891	1.9891
N3	2.5763	1.3678		3.6419	1.0107	1.0107
H4	1.0656	2.2752	3.6419		4.1490	4.1490
H5	3.1197	1.9891	1.0107	4.1490		1.6628
H6	3.1197	1.9891	1.0107	4.1490	1.6628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.061	C2	C1	H4	177.764
C2	N3	H5	112.644	C2	N3	H6	112.644
H5	N3	H6	110.693

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCSD/6-311G*

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: CCSD/6-311G*

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)