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	hartrees
Energy at 0K	-132.646853
Energy at 298.15K
HF Energy	-132.460604
Nuclear repulsion energy	59.516626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3561	3561	18.46
2	A'	3504	3504	89.58
3	A'	2221	2221	110.56
4	A'	1651	1651	26.69
5	A'	1078	1078	14.67
6	A'	642	642	199.11
7	A'	507	507	111.67
8	A'	426	426	7.71
9	A"	3649	3649	38.76
10	A"	1211	1211	0.10
11	A"	696	696	42.60
12	A"	362	362	8.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	1.365	0.000
C2	0.000	0.160	0.000
N3	0.097	-1.188	0.000
H4	-0.046	2.423	0.000
H5	-0.259	-1.631	0.832
H6	-0.259	-1.631	-0.832

	C1	C2	N3	H4	H5	H6
C1		1.2052	2.5563	1.0583	3.1187	3.1187
C2	1.2052		1.3521	2.2634	1.9919	1.9919
N3	2.5563	1.3521		3.6144	1.0077	1.0077
H4	1.0583	2.2634	3.6144		4.1441	4.1441
H5	3.1187	1.9919	1.0077	4.1441		1.6649
H6	3.1187	1.9919	1.0077	4.1441	1.6649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.812	C2	C1	H4	179.537
C2	N3	H5	114.367	C2	N3	H6	114.367
H5	N3	H6	111.405

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/Def2TZVPP

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)