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	hartrees
Energy at 0K	-132.437944
Energy at 298.15K	-132.440145
HF Energy	-131.906952
Nuclear repulsion energy	59.353874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3582	3582	19.17
2	A'	3499	3499	79.96
3	A'	2241	2241	90.98
4	A'	1667	1667	25.52
5	A'	1069	1069	11.74
6	A'	707	707	197.40
7	A'	529	529	97.39
8	A'	422	422	9.10
9	A"	3671	3671	33.55
10	A"	1232	1232	0.56
11	A"	695	695	41.05
12	A"	358	358	6.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	1.367	0.000
C2	0.000	0.163	0.000
N3	0.126	-1.194	0.000
H4	-0.094	2.427	0.000
H5	-0.256	-1.623	0.828
H6	-0.256	-1.623	-0.828

	C1	C2	N3	H4	H5	H6
C1		1.2054	2.5674	1.0606	3.1099	3.1099
C2	1.2054		1.3630	2.2659	1.9849	1.9849
N3	2.5674	1.3630		3.6278	1.0075	1.0075
H4	1.0606	2.2659	3.6278		4.1366	4.1366
H5	3.1099	1.9849	1.0075	4.1366		1.6557
H6	3.1099	1.9849	1.0075	4.1366	1.6557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.874	C2	C1	H4	179.550
C2	N3	H5	112.864	C2	N3	H6	112.864
H5	N3	H6	110.510

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: QCISD/Def2TZVPP

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: QCISD/Def2TZVPP

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)