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	hartrees
Energy at 0K	-132.476869
Energy at 298.15K	-132.479139
HF Energy	-131.902861
Nuclear repulsion energy	59.711498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3631	3386	23.69
2	A'	3549	3310	88.63
3	A'	2308	2153	100.11
4	A'	1681	1568	28.08
5	A'	1095	1021	14.53
6	A'	690	643	198.39
7	A'	533	497	99.28
8	A'	455	424	12.12
9	A"	3717	3466	37.55
10	A"	1237	1153	0.37
11	A"	699	652	39.61
12	A"	386	360	6.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.052	1.358	0.000
C2	0.000	0.163	0.000
N3	0.129	-1.186	0.000
H4	-0.106	2.410	0.000
H5	-0.240	-1.619	0.827
H6	-0.240	-1.619	-0.827

	C1	C2	N3	H4	H5	H6
C1		1.1965	2.5508	1.0530	3.0955	3.0955
C2	1.1965		1.3550	2.2495	1.9788	1.9788
N3	2.5508	1.3550		3.6036	1.0035	1.0035
H4	1.0530	2.2495	3.6036		4.1148	4.1148
H5	3.0955	1.9788	1.0035	4.1148		1.6537
H6	3.0955	1.9788	1.0035	4.1148	1.6537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.058	C2	C1	H4	179.568
C2	N3	H5	113.230	C2	N3	H6	113.230
H5	N3	H6	110.971

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP3=FULL/cc-pVTZ

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-pVTZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)