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	hartrees
Energy at 0K	-131.394784
Energy at 298.15K	-131.396699
HF Energy	-131.122952
Nuclear repulsion energy	59.387493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3639	3400	42.82
2	A'	3532	3301	71.85
3	A'	2306	2154	90.93
4	A'	1752	1637	53.56
5	A'	1118	1045	23.51
6	A'	579	541	116.08
7	A'	536	501	0.96
8	A'	133	125	451.28
9	A"	3745	3500	45.01
10	A"	1217	1137	7.66
11	A"	829	775	34.99
12	A"	458	428	14.64

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	1.374	0.000
C2	0.000	0.164	0.000
N3	-0.000	-1.181	0.000
H4	-0.000	2.435	0.000
H5	0.001	-1.698	0.863
H6	0.001	-1.698	-0.863

	C1	C2	N3	H4	H5	H6
C1		1.2097	2.5548	1.0607	3.1911	3.1911
C2	1.2097		1.3451	2.2704	2.0528	2.0528
N3	2.5548	1.3451		3.6155	1.0065	1.0065
H4	1.0607	2.2704	3.6155		4.2220	4.2220
H5	3.1911	2.0528	1.0065	4.2220		1.7269
H6	3.1911	2.0528	1.0065	4.2220	1.7269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	179.991	C2	C1	H4	179.999
C2	N3	H5	120.924	C2	N3	H6	120.924
H5	N3	H6	118.153

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CISD/3-21G*

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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All results from a given calculation for HCCNH2 (Ethynamine)

using model chemistry: CISD/3-21G*

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)