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	hartrees
Energy at 0K	-132.640243
Energy at 298.15K	-132.642230
HF Energy	-132.640243
Nuclear repulsion energy	58.672153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3424	3430	74.05
2	A'	3362	3367	5.45
3	A'	2181	2185	80.80
4	A'	1573	1575	15.04
5	A'	1050	1051	8.82
6	A'	677	679	184.12
7	A'	470	470	67.93
8	A'	335	335	13.58
9	A"	3437	3442	12.47
10	A"	1177	1179	0.23
11	A"	651	652	27.15
12	A"	323	324	6.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	1.384	0.000
C2	0.000	0.159	0.000
N3	0.088	-1.206	0.000
H4	-0.001	2.459	0.000
H5	-0.329	-1.635	0.837
H6	-0.329	-1.635	-0.837

	C1	C2	N3	H4	H5	H6
C1		1.2251	2.5910	1.0756	3.1501	3.1501
C2	1.2251		1.3675	2.3006	2.0062	2.0062
N3	2.5910	1.3675		3.6664	1.0290	1.0290
H4	1.0756	2.3006	3.6664		4.1914	4.1914
H5	3.1501	2.0062	1.0290	4.1914		1.6746
H6	3.1501	2.0062	1.0290	4.1914	1.6746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.984	C2	C1	H4	179.307
C2	N3	H5	112.914	C2	N3	H6	112.914
H5	N3	H6	108.923

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: BLYP/cc-pVDZ

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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Number	Element	Mulliken
1	C	-0.075
2	C	0.038
3	N	-0.114
4	H	-0.050
5	H	0.101
6	H	0.101

	x	y	z	Total
	-1.159	-1.540	0.000	1.927
CHELPG
AIM
ESP

	x	y	z
x	2.050	0.162	0.000
y	0.162	6.868	0.000
z	0.000	0.000	2.454

<r²>	45.119
(<r²>)^1/2	6.717

All results from a given calculation for HCCNH2 (Ethynamine)

using model chemistry: BLYP/cc-pVDZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)