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	hartrees
Energy at 0K	-132.456518
Energy at 298.15K	-132.458621
HF Energy	-131.899782
Nuclear repulsion energy	59.163430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3552	3387
2	A'	3466	3306
3	A'	2195	2093
4	A'	1649	1572
5	A'	1055	1006
6	A'	690	658
7	A'	498	475
8	A'	392	373
9	A"	3643	3475
10	A"	1211	1155
11	A"	658	627
12	A"	338	323

Atom	x (Å)	y (Å)	z (Å)
C1	-0.021	1.373	0.000
C2	0.000	0.162	0.000
N3	0.105	-1.199	0.000
H4	-0.044	2.436	0.000
H5	-0.281	-1.626	0.831
H6	-0.281	-1.626	-0.831

	C1	C2	N3	H4	H5	H6
C1		1.2111	2.5750	1.0636	3.1231	3.1231
C2	1.2111		1.3650	2.2747	1.9920	1.9920
N3	2.5750	1.3650		3.6383	1.0112	1.0112
H4	1.0636	2.2747	3.6383		4.1535	4.1535
H5	3.1231	1.9920	1.0112	4.1535		1.6623
H6	3.1231	1.9920	1.0112	4.1535	1.6623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.603	C2	C1	H4	179.799
C2	N3	H5	113.081	C2	N3	H6	113.081
H5	N3	H6	110.562

All results from a given calculation for HCCNH₂ (Ethynamine)

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

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)