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	hartrees
Energy at 0K	-132.377569
Energy at 298.15K	-132.379906
HF Energy	-131.908223
Nuclear repulsion energy	59.783735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3678	3678	27.46
2	A'	3574	3574	91.51
3	A'	2323	2323	107.27
4	A'	1703	1703	28.68
5	A'	1104	1104	15.33
6	A'	693	693	199.14
7	A'	582	582	98.78
8	A'	467	467	25.10
9	A"	3769	3769	43.66
10	A"	1256	1256	0.34
11	A"	755	755	42.18
12	A"	391	391	8.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.069	1.356	0.000
C2	0.000	0.164	0.000
N3	0.139	-1.183	0.000
H4	-0.130	2.409	0.000
H5	-0.215	-1.622	0.826
H6	-0.215	-1.622	-0.826

	C1	C2	N3	H4	H5	H6
C1		1.1943	2.5474	1.0552	3.0939	3.0939
C2	1.1943		1.3538	2.2494	1.9794	1.9794
N3	2.5474	1.3538		3.6024	1.0007	1.0007
H4	1.0552	2.2494	3.6024		4.1160	4.1160
H5	3.0939	1.9794	1.0007	4.1160		1.6524
H6	3.0939	1.9794	1.0007	4.1160	1.6524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.405	C2	C1	H4	179.973
C2	N3	H5	113.578	C2	N3	H6	113.578
H5	N3	H6	111.307

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CISD/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: CISD/Def2TZVPP

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)