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	hartrees
Energy at 0K	-132.375040
Energy at 298.15K	-132.377385
HF Energy	-131.908288
Nuclear repulsion energy	59.814952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3683	3683	28.35
2	A'	3578	3578	92.78
3	A'	2331	2331	108.10
4	A'	1704	1704	29.22
5	A'	1106	1106	15.82
6	A'	691	691	200.89
7	A'	588	588	95.75
8	A'	469	469	27.15
9	A"	3775	3775	44.86
10	A"	1257	1257	0.30
11	A"	757	757	42.21
12	A"	393	393	8.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.066	1.355	0.000
C2	0.000	0.164	0.000
N3	0.137	-1.183	0.000
H4	-0.130	2.408	0.000
H5	-0.217	-1.622	0.826
H6	-0.217	-1.622	-0.826

	C1	C2	N3	H4	H5	H6
C1		1.1932	2.5458	1.0550	3.0928	3.0928
C2	1.1932		1.3533	2.2482	1.9791	1.9791
N3	2.5458	1.3533		3.6007	1.0003	1.0003
H4	1.0550	2.2482	3.6007		4.1145	4.1145
H5	3.0928	1.9791	1.0003	4.1145		1.6521
H6	3.0928	1.9791	1.0003	4.1145	1.6521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.361	C2	C1	H4	179.752
C2	N3	H5	113.616	C2	N3	H6	113.616
H5	N3	H6	111.331

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CID/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: CID/Def2TZVPP

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)