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	hartrees
Energy at 0K	-132.306394
Energy at 298.15K	-132.308606
HF Energy	-131.860408
Nuclear repulsion energy	58.826502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3579	3366	12.81
2	A'	3532	3321	80.16
3	A'	2286	2150	72.30
4	A'	1657	1558	22.21
5	A'	1074	1010	9.12
6	A'	790	743	201.11
7	A'	535	503	75.44
8	A'	398	374	8.91
9	A"	3667	3448	22.76
10	A"	1244	1170	0.70
11	A"	682	641	33.87
12	A"	355	334	4.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.068	1.377	0.000
C2	0.000	0.161	0.000
N3	0.156	-1.206	0.000
H4	-0.137	2.447	0.000
H5	-0.273	-1.619	0.826
H6	-0.273	-1.619	-0.826

	C1	C2	N3	H4	H5	H6
C1		1.2176	2.5924	1.0726	3.1148	3.1148
C2	1.2176		1.3758	2.2902	1.9816	1.9816
N3	2.5924	1.3758		3.6648	1.0180	1.0180
H4	1.0726	2.2902	3.6648		4.1519	4.1519
H5	3.1148	1.9816	1.0180	4.1519		1.6512
H6	3.1148	1.9816	1.0180	4.1519	1.6512

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.699	C2	C1	H4	179.503
C2	N3	H5	110.859	C2	N3	H6	110.859
H5	N3	H6	108.380

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP3=FULL/cc-pVDZ

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: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)