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	hartrees
Energy at 0K	-130.909662
Energy at 298.15K	-130.911556
HF Energy	-130.909662
Nuclear repulsion energy	57.500048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3595	3326	145.01
2	A'	3353	3102	2.84
3	A'	2329	2155	6.43
4	A'	1748	1617	7.12
5	A'	1047	968	14.50
6	A'	716	662	135.04
7	A'	528	489	33.36
8	A'	357	331	8.29
9	A"	3529	3265	1.05
10	A"	1294	1197	0.67
11	A"	696	643	14.90
12	A"	330	306	2.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.154	1.390	0.000
C2	0.000	0.181	0.000
N3	-0.006	-1.248	0.000
H4	0.259	2.469	0.000
H5	-0.569	-1.579	0.848
H6	-0.569	-1.579	-0.848

	C1	C2	N3	H4	H5	H6
C1		1.2185	2.6432	1.0843	3.1711	3.1711
C2	1.2185		1.4296	2.3026	2.0349	2.0349
N3	2.6432	1.4296		3.7270	1.0701	1.0701
H4	1.0843	2.3026	3.7270		4.2179	4.2179
H5	3.1711	2.0349	1.0701	4.2179		1.6962
H6	3.1711	2.0349	1.0701	4.2179	1.6962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.991	C2	C1	H4	178.263
C2	N3	H5	108.131	C2	N3	H6	108.131
H5	N3	H6	104.847

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: BLYP/STO-3G

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	-0.153
2	C	0.002
3	N	-0.338
4	H	0.106
5	H	0.191
6	H	0.191

	x	y	z	Total
	-1.647	-0.669	0.000	1.777
CHELPG
AIM
ESP

	x	y	z
x	0.659	0.629	0.000
y	0.629	4.368	0.000
z	0.000	0.000	1.161

<r²>	45.572
(<r²>)^1/2	6.751

All results from a given calculation for HCCNH2 (Ethynamine)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)