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	hartrees
Energy at 0K	-132.618345
Energy at 298.15K	-132.620396
HF Energy	-132.618345
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3691	3691	43.98
2	A'	3529	3529	88.87
3	A'	2267	2267	148.03
4	A'	1675	1675	65.43
5	A'	1119	1119	21.23
6	A'	523	523	119.48
7	A'	483	483	120.88
8	A'	390	390	365.41
9	A"	3829	3829	47.66
10	A"	1153	1153	9.03
11	A"	750	750	58.32
12	A"	370	370	18.88

Atom	x (Å)	y (Å)	z (Å)
C1	-0.007	1.383	0.000
C2	0.000	0.163	0.000
N3	0.006	-1.188	0.000
H4	-0.009	2.447	0.000
H5	0.006	-1.700	0.866
H6	0.006	-1.700	-0.866

	C1	C2	N3	H4	H5	H6
C1		1.2203	2.5712	1.0637	3.2025	3.2025
C2	1.2203		1.3509	2.2840	2.0542	2.0542
N3	2.5712	1.3509		3.6349	1.0058	1.0058
H4	1.0637	2.2840	3.6349		4.2364	4.2364
H5	3.2025	2.0542	1.0058	4.2364		1.7313
H6	3.2025	2.0542	1.0058	4.2364	1.7313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	179.902	C2	C1	H4	179.782
C2	N3	H5	120.606	C2	N3	H6	120.606
H5	N3	H6	118.789

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: wB97X-D/SDD

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	-0.460
2	C	0.193
3	N	-0.709
4	H	0.277
5	H	0.350
6	H	0.350

	x	y	z	Total
	0.007	-1.860	0.000	1.860
CHELPG
AIM
ESP

	x	y	z
x	1.769	-0.027	0.000
y	-0.027	6.525	0.000
z	0.000	0.000	2.031

<r²>	44.829
(<r²>)^1/2	6.695

All results from a given calculation for HCCNH2 (Ethynamine)

using model chemistry: wB97X-D/SDD

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)