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	hartrees
Energy at 0K	-132.495428
Energy at 298.15K	-132.497649
HF Energy	-131.904626
Nuclear repulsion energy	59.598887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3596	3420	17.92
2	A'	3515	3342	84.43
3	A'	2263	2152	101.97
4	A'	1675	1593	26.01
5	A'	1081	1028	15.21
6	A'	679	646	177.17
7	A'	526	500	97.07
8	A'	436	415	13.10
9	A"	3675	3495	38.38
10	A"	1226	1166	0.85
11	A"	699	664	38.16
12	A"	368	350	6.44

Atom	x (Å)	y (Å)	z (Å)
C1	-0.084	1.360	0.000
C2	0.000	0.162	0.000
N3	0.153	-1.185	0.000
H4	-0.151	2.412	0.000
H5	-0.206	-1.627	0.829
H6	-0.206	-1.627	-0.829

	C1	C2	N3	H4	H5	H6
C1		1.2004	2.5555	1.0541	3.1023	3.1023
C2	1.2004		1.3557	2.2545	1.9830	1.9830
N3	2.5555	1.3557		3.6093	1.0058	1.0058
H4	1.0541	2.2545	3.6093		4.1236	4.1236
H5	3.1023	1.9830	1.0058	4.1236		1.6581
H6	3.1023	1.9830	1.0058	4.1236	1.6581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.564	C2	C1	H4	179.599
C2	N3	H5	113.392	C2	N3	H6	113.392
H5	N3	H6	111.028

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCSD=FULL/aug-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: CCSD=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)