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	hartrees
Energy at 0K	-132.070535
Energy at 298.15K	-132.071931
HF Energy	-131.799063
Nuclear repulsion energy	59.056602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3721	3480	42.27
2	A'	3533	3304	66.95
3	A'	2302	2153	93.54
4	A'	1763	1649	55.87
5	A'	1114	1042	21.55
6	A'	493	461	37.36
7	A'	214	200	282.39
8	A'	161	151	312.32
9	A"	3841	3593	46.01
10	A"	1230	1150	8.39
11	A"	681	637	51.00
12	A"	342	320	6.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.101	1.380	0.000
C2	0.000	0.167	0.000
N3	-0.073	-1.189	0.000
H4	0.137	2.444	0.000
H5	-0.116	-1.702	0.860
H6	-0.116	-1.702	-0.860

	C1	C2	N3	H4	H5	H6
C1		1.2165	2.5746	1.0651	3.2067	3.2067
C2	1.2165		1.3584	2.2809	2.0609	2.0609
N3	2.5746	1.3584		3.6393	1.0021	1.0021
H4	1.0651	2.2809	3.6393		4.2419	4.2419
H5	3.2067	2.0609	1.0021	4.2419		1.7197
H6	3.2067	2.0609	1.0021	4.2419	1.7197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	178.314	C2	C1	H4	177.143
C2	N3	H5	120.893	C2	N3	H6	120.893
H5	N3	H6	118.185

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CID/6-31G

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: CID/6-31G

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)