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	hartrees
Energy at 0K	-132.308496
Energy at 298.15K	-132.310593
HF Energy	-131.854360
Nuclear repulsion energy	59.266837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3656	3656	14.65
2	A'	3581	3581	71.96
3	A'	2323	2323	65.15
4	A'	1703	1703	29.92
5	A'	1089	1089	9.65
6	A'	738	738	245.67
7	A'	508	508	75.43
8	A'	357	357	17.46
9	A"	3752	3752	22.54
10	A"	1248	1248	0.03
11	A"	647	647	37.63
12	A"	347	347	1.84

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	1.370	0.000
C2	0.000	0.164	0.000
N3	0.102	-1.200	0.000
H4	-0.065	2.428	0.000
H5	-0.295	-1.617	0.826
H6	-0.295	-1.617	-0.826

	C1	C2	N3	H4	H5	H6
C1		1.2062	2.5729	1.0587	3.1128	3.1128
C2	1.2062		1.3681	2.2644	1.9858	1.9858
N3	2.5729	1.3681		3.6316	1.0074	1.0074
H4	1.0587	2.2644	3.6316		4.1348	4.1348
H5	3.1128	1.9858	1.0074	4.1348		1.6525
H6	3.1128	1.9858	1.0074	4.1348	1.6525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.192	C2	C1	H4	177.531
C2	N3	H5	112.540	C2	N3	H6	112.540
H5	N3	H6	110.200

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP3=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: MP3=FULL/6-31G**

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)