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	hartrees
Energy at 0K	-132.520784
Energy at 298.15K	-132.522952
HF Energy	-131.906470
Nuclear repulsion energy	59.275139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3549	3549
2	A'	3486	3486
3	A'	2203	2203
4	A'	1651	1651
5	A'	1057	1057
6	A'	703	703
7	A'	526	526
8	A'	408	408
9	A"	3638	3638
10	A"	1220	1220
11	A"	690	690
12	A"	347	347

Atom	x (Å)	y (Å)	z (Å)
C1	-0.036	1.370	0.000
C2	0.000	0.162	0.000
N3	0.119	-1.197	0.000
H4	-0.072	2.429	0.000
H5	-0.271	-1.622	0.828
H6	-0.271	-1.622	-0.828

	C1	C2	N3	H4	H5	H6
C1		1.2092	2.5716	1.0595	3.1131	3.1131
C2	1.2092		1.3634	2.2688	1.9845	1.9845
N3	2.5716	1.3634		3.6308	1.0086	1.0086
H4	1.0595	2.2688	3.6308		4.1393	4.1393
H5	3.1131	1.9845	1.0086	4.1393		1.6552
H6	3.1131	1.9845	1.0086	4.1393	1.6552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.719	C2	C1	H4	179.781
C2	N3	H5	112.715	C2	N3	H6	112.715
H5	N3	H6	110.271

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: QCISD(T)=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: QCISD(T)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)