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	hartrees
Energy at 0K	-132.529328
Energy at 298.15K	-132.531444
HF Energy	-131.899729
Nuclear repulsion energy	59.225943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3556	3556
2	A'	3479	3479
3	A'	2174	2174
4	A'	1647	1647
5	A'	1062	1062
6	A'	678	678
7	A'	502	502
8	A'	398	398
9	A"	3651	3651
10	A"	1206	1206
11	A"	657	657
12	A"	346	346

Atom	x (Å)	y (Å)	z (Å)
C1	-0.033	1.372	0.000
C2	0.000	0.160	0.000
N3	0.112	-1.195	0.000
H4	-0.059	2.434	0.000
H5	-0.263	-1.630	0.831
H6	-0.263	-1.630	-0.831

	C1	C2	N3	H4	H5	H6
C1		1.2130	2.5717	1.0621	3.1237	3.1237
C2	1.2130		1.3597	2.2751	1.9908	1.9908
N3	2.5717	1.3597		3.6334	1.0104	1.0104
H4	1.0621	2.2751	3.6334		4.1533	4.1533
H5	3.1237	1.9908	1.0104	4.1533		1.6625
H6	3.1237	1.9908	1.0104	4.1533	1.6625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.842	C2	C1	H4	179.808
C2	N3	H5	113.462	C2	N3	H6	113.462
H5	N3	H6	110.717

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP4=FULL/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: MP4=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)