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	hartrees
Energy at 0K	-132.276158
Energy at 298.15K	-132.278166
HF Energy	-131.842751
Nuclear repulsion energy	58.917126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3533	3364	9.66
2	A'	3507	3339	63.36
3	A'	2256	2148	54.66
4	A'	1705	1623	31.97
5	A'	1071	1020	6.69
6	A'	762	726	260.65
7	A'	492	469	63.38
8	A'	353	336	21.86
9	A"	3624	3451	17.72
10	A"	1247	1188	0.02
11	A"	605	576	36.46
12	A"	306	292	1.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.077	1.376	0.000
C2	0.000	0.164	0.000
N3	0.039	-1.209	0.000
H4	0.042	2.442	0.000
H5	-0.389	-1.609	0.831
H6	-0.389	-1.609	-0.831

	C1	C2	N3	H4	H5	H6
C1		1.2138	2.5851	1.0673	3.1326	3.1326
C2	1.2138		1.3741	2.2785	1.9962	1.9962
N3	2.5851	1.3741		3.6516	1.0168	1.0168
H4	1.0673	2.2785	3.6516		4.1577	4.1577
H5	3.1326	1.9962	1.0168	4.1577		1.6623
H6	3.1326	1.9962	1.0168	4.1577	1.6623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.732	C2	C1	H4	174.525
C2	N3	H5	112.361	C2	N3	H6	112.361
H5	N3	H6	109.654

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)