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	hartrees
Energy at 0K	-131.978886
Energy at 298.15K	-131.980854
HF Energy	-131.978886
Nuclear repulsion energy	59.615527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3480	3437	20.52
2	A'	3422	3380	111.13
3	A'	2232	2205	116.25
4	A'	1562	1543	39.39
5	A'	1120	1106	15.63
6	A'	501	495	21.67
7	A'	444	439	302.65
8	A'	377	373	29.15
9	A"	3567	3523	49.43
10	A"	1130	1116	1.14
11	A"	672	664	37.56
12	A"	367	363	11.80

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	1.363	0.000
C2	0.000	0.154	0.000
N3	0.082	-1.175	0.000
H4	-0.050	2.432	0.000
H5	-0.201	-1.655	0.852
H6	-0.201	-1.655	-0.852

	C1	C2	N3	H4	H5	H6
C1		1.2088	2.5393	1.0701	3.1410	3.1410
C2	1.2088		1.3311	2.2789	2.0098	2.0098
N3	2.5393	1.3311		3.6094	1.0183	1.0183
H4	1.0701	2.2789	3.6094		4.1780	4.1780
H5	3.1410	2.0098	1.0183	4.1780		1.7041
H6	3.1410	2.0098	1.0183	4.1780	1.7041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.417	C2	C1	H4	179.279
C2	N3	H5	116.996	C2	N3	H6	116.996
H5	N3	H6	113.600

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: LSDA/6-311G**

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	-0.066
2	C	0.021
3	N	-0.578
4	H	0.123
5	H	0.249
6	H	0.249

	x	y	z	Total
	-0.929	-1.868	0.000	2.086
CHELPG
AIM
ESP

	x	y	z
x	2.203	-0.012	0.000
y	-0.012	6.855	0.000
z	0.000	0.000	2.532

<r²>	44.114
(<r²>)^1/2	6.642

All results from a given calculation for HCCNH2 (Ethynamine)

using model chemistry: LSDA/6-311G**

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)