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	hartrees
Energy at 0K	-132.615987
Energy at 298.15K	-132.618038
HF Energy	-132.452400
Nuclear repulsion energy	59.471614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3566	3403	19.30
2	A'	3511	3351	92.65
3	A'	2231	2129	108.52
4	A'	1659	1583	34.72
5	A'	1080	1031	15.44
6	A'	631	602	226.43
7	A'	487	465	111.70
8	A'	369	352	17.34
9	A"	3658	3490	36.41
10	A"	1208	1153	0.01
11	A"	666	636	45.45
12	A"	338	323	7.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.009	1.367	0.000
C2	0.000	0.161	0.000
N3	0.072	-1.190	0.000
H4	-0.001	2.426	0.000
H5	-0.279	-1.631	0.836
H6	-0.279	-1.631	-0.836

	C1	C2	N3	H4	H5	H6
C1		1.2060	2.5573	1.0593	3.1258	3.1258
C2	1.2060		1.3524	2.2652	1.9972	1.9972
N3	2.5573	1.3524		3.6164	1.0087	1.0087
H4	1.0593	2.2652	3.6164		4.1518	4.1518
H5	3.1258	1.9972	1.0087	4.1518		1.6721
H6	3.1258	1.9972	1.0087	4.1518	1.6721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.505	C2	C1	H4	178.978
C2	N3	H5	114.747	C2	N3	H6	114.747
H5	N3	H6	111.958

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: B2PLYP=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)