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	hartrees
Energy at 0K	-132.492619
Energy at 298.15K	-132.494901
HF Energy	-131.907788
Nuclear repulsion energy	59.604219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3616	3616	24.54
2	A'	3536	3536	87.63
3	A'	2291	2291	104.11
4	A'	1674	1674	28.09
5	A'	1083	1083	14.34
6	A'	695	695	200.18
7	A'	572	572	94.84
8	A'	445	445	17.59
9	A"	3704	3704	39.27
10	A"	1236	1236	0.41
11	A"	734	734	41.95
12	A"	373	373	7.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.043	1.361	0.000
C2	0.000	0.163	0.000
N3	0.122	-1.189	0.000
H4	-0.089	2.416	0.000
H5	-0.254	-1.618	0.827
H6	-0.254	-1.618	-0.827

	C1	C2	N3	H4	H5	H6
C1		1.1984	2.5558	1.0563	3.0992	3.0992
C2	1.1984		1.3583	2.2547	1.9806	1.9806
N3	2.5558	1.3583		3.6119	1.0042	1.0042
H4	1.0563	2.2547	3.6119		4.1218	4.1218
H5	3.0992	1.9806	1.0042	4.1218		1.6532
H6	3.0992	1.9806	1.0042	4.1218	1.6532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.900	C2	C1	H4	179.536
C2	N3	H5	113.074	C2	N3	H6	113.074
H5	N3	H6	110.796

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP3=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)