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	hartrees
Energy at 0K	-130.223902
Energy at 298.15K	-130.225782
HF Energy	-130.223902
Nuclear repulsion energy	58.493347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3672	3288	181.32
2	A'	3578	3204	18.67
3	A'	2418	2166	15.67
4	A'	1725	1545	14.96
5	A'	1125	1007	3.46
6	A'	523	469	11.83
7	A'	501	449	277.81
8	A'	413	370	8.25
9	A"	3751	3359	7.93
10	A"	1244	1114	0.32
11	A"	740	663	16.24
12	A"	365	327	3.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.026	1.381	0.000
C2	0.000	0.168	0.000
N3	0.068	-1.208	0.000
H4	0.049	2.459	0.000
H5	-0.341	-1.649	0.861
H6	-0.341	-1.649	-0.861

	C1	C2	N3	H4	H5	H6
C1		1.2130	2.5890	1.0788	3.1708	3.1708
C2	1.2130		1.3776	2.2919	2.0391	2.0391
N3	2.5890	1.3776		3.6673	1.0498	1.0498
H4	1.0788	2.2919	3.6673		4.2155	4.2155
H5	3.1708	2.0391	1.0498	4.2155		1.7212
H6	3.1708	2.0391	1.0498	4.2155	1.7212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.936	C2	C1	H4	179.972
C2	N3	H5	113.597	C2	N3	H6	113.597
H5	N3	H6	110.127

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: LSDA/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	-0.182
2	C	0.001
3	N	-0.384
4	H	0.122
5	H	0.221
6	H	0.221

	x	y	z	Total
	-1.367	-1.274	0.000	1.868
CHELPG
AIM
ESP

	x	y	z
x	0.447	0.199	0.000
y	0.199	4.330	0.000
z	0.000	0.000	1.069

<r²>	44.284
(<r²>)^1/2	6.655

All results from a given calculation for HCCNH2 (Ethynamine)

using model chemistry: LSDA/STO-3G

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)