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	hartrees
Energy at 0K	-132.591090
Energy at 298.15K	-132.593167
HF Energy	-132.430665
Nuclear repulsion energy	59.379523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3571	3571	10.95
2	A'	3500	3500	71.96
3	A'	2228	2228	89.50
4	A'	1711	1711	36.07
5	A'	1078	1078	11.17
6	A'	683	683	252.97
7	A'	487	487	85.85
8	A'	356	356	27.45
9	A"	3658	3658	21.39
10	A"	1241	1241	0.04
11	A"	659	659	39.73
12	A"	360	360	6.85

Atom	x (Å)	y (Å)	z (Å)
C1	-0.004	1.369	0.000
C2	0.000	0.161	0.000
N3	0.087	-1.192	0.000
H4	-0.026	2.430	0.000
H5	-0.280	-1.629	0.833
H6	-0.280	-1.629	-0.833

	C1	C2	N3	H4	H5	H6
C1		1.2080	2.5626	1.0614	3.1233	3.1233
C2	1.2080		1.3558	2.2693	1.9936	1.9936
N3	2.5626	1.3558		3.6239	1.0094	1.0094
H4	1.0614	2.2693	3.6239		4.1510	4.1510
H5	3.1233	1.9936	1.0094	4.1510		1.6664
H6	3.1233	1.9936	1.0094	4.1510	1.6664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.508	C2	C1	H4	178.989
C2	N3	H5	114.095	C2	N3	H6	114.095
H5	N3	H6	111.266

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)