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	hartrees
Energy at 0K	-132.427780
Energy at 298.15K	-132.430008
HF Energy	-131.901271
Nuclear repulsion energy	59.499536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3621	3621	24.02
2	A'	3519	3519	89.11
3	A'	2281	2281	113.12
4	A'	1671	1671	29.02
5	A'	1082	1082	15.46
6	A'	679	679	188.84
7	A'	541	541	96.09
8	A'	436	436	12.74
9	A"	3711	3711	42.40
10	A"	1227	1227	0.76
11	A"	703	703	40.55
12	A"	366	366	7.54

Atom	x (Å)	y (Å)	z (Å)
C1	-0.029	1.364	0.000
C2	0.000	0.164	0.000
N3	0.109	-1.192	0.000
H4	-0.063	2.423	0.000
H5	-0.263	-1.623	0.830
H6	-0.263	-1.623	-0.830

	C1	C2	N3	H4	H5	H6
C1		1.2002	2.5589	1.0601	3.1089	3.1089
C2	1.2002		1.3597	2.2602	1.9878	1.9878
N3	2.5589	1.3597		3.6188	1.0065	1.0065
H4	1.0601	2.2602	3.6188		4.1355	4.1355
H5	3.1089	1.9878	1.0065	4.1355		1.6599
H6	3.1089	1.9878	1.0065	4.1355	1.6599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.784	C2	C1	H4	179.503
C2	N3	H5	113.454	C2	N3	H6	113.454
H5	N3	H6	111.090

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP3/6-311+G(3df,2p)

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: MP3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)