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	hartrees
Energy at 0K	-132.088423
Energy at 298.15K	-132.090201
HF Energy	-131.795198
Nuclear repulsion energy	58.599296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3654	3472	46.11
2	A'	3506	3331	57.40
3	A'	2206	2095	83.08
4	A'	1744	1657	49.91
5	A'	1079	1025	17.18
6	A'	561	533	117.43
7	A'	417	396	6.08
8	A'	240	228	452.19
9	A"	3780	3592	43.93
10	A"	1214	1153	7.93
11	A"	658	626	45.84
12	A"	338	321	8.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.382	1.343	0.000
C2	0.000	0.170	0.000
N3	-0.267	-1.169	0.000
H4	0.517	2.402	0.000
H5	-0.472	-1.649	0.861
H6	-0.472	-1.649	-0.861

	C1	C2	N3	H4	H5	H6
C1		1.2339	2.5951	1.0671	3.2291	3.2291
C2	1.2339		1.3658	2.2908	2.0676	2.0676
N3	2.5951	1.3658		3.6562	1.0073	1.0073
H4	1.0671	2.2908	3.6562		4.2581	4.2581
H5	3.2291	2.0676	1.0073	4.2581		1.7230
H6	3.2291	2.0676	1.0073	4.2581	1.7230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.204	C2	C1	H4	169.187
C2	N3	H5	120.461	C2	N3	H6	120.461
H5	N3	H6	117.579

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP2=FULL/6-31G

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: MP2=FULL/6-31G

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)