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	hartrees
Energy at 0K	-132.499837
Energy at 298.15K	-132.502061
HF Energy	-131.901173
Nuclear repulsion energy	59.511409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3602	3602	20.08
2	A'	3505	3505	82.25
3	A'	2255	2255	103.98
4	A'	1670	1670	27.58
5	A'	1082	1082	14.65
6	A'	674	674	188.22
7	A'	535	535	94.26
8	A'	439	439	13.51
9	A"	3694	3694	39.16
10	A"	1224	1224	0.66
11	A"	704	704	38.63
12	A"	365	365	7.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.041	1.364	0.000
C2	0.000	0.162	0.000
N3	0.117	-1.189	0.000
H4	-0.083	2.423	0.000
H5	-0.247	-1.627	0.830
H6	-0.247	-1.627	-0.830

	C1	C2	N3	H4	H5	H6
C1		1.2018	2.5578	1.0600	3.1108	3.1108
C2	1.2018		1.3568	2.2618	1.9884	1.9884
N3	2.5578	1.3568		3.6176	1.0069	1.0069
H4	1.0600	2.2618	3.6176		4.1375	4.1375
H5	3.1108	1.9884	1.0069	4.1375		1.6604
H6	3.1108	1.9884	1.0069	4.1375	1.6604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.980	C2	C1	H4	179.642
C2	N3	H5	113.710	C2	N3	H6	113.710
H5	N3	H6	111.079

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)