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	hartrees
Energy at 0K	-132.553970
Energy at 298.15K	-132.556110
HF Energy	-132.409773
Nuclear repulsion energy	58.963577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3525	3379	5.82
2	A'	3515	3369	90.19
3	A'	2230	2137	80.17
4	A'	1633	1565	20.48
5	A'	1076	1031	10.28
6	A'	729	699	199.59
7	A'	503	482	79.75
8	A'	388	372	8.28
9	A"	3613	3463	24.98
10	A"	1222	1171	0.30
11	A"	675	647	31.01
12	A"	346	332	5.43

Atom	x (Å)	y (Å)	z (Å)
C1	-0.044	1.377	0.000
C2	0.000	0.158	0.000
N3	0.131	-1.200	0.000
H4	-0.093	2.445	0.000
H5	-0.277	-1.626	0.830
H6	-0.277	-1.626	-0.830

	C1	C2	N3	H4	H5	H6
C1		1.2196	2.5826	1.0698	3.1245	3.1245
C2	1.2196		1.3641	2.2894	1.9874	1.9874
N3	2.5826	1.3641		3.6522	1.0184	1.0184
H4	1.0698	2.2894	3.6522		4.1597	4.1597
H5	3.1245	1.9874	1.0184	4.1597		1.6598
H6	3.1245	1.9874	1.0184	4.1597	1.6598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.593	C2	C1	H4	179.497
C2	N3	H5	112.245	C2	N3	H6	112.245
H5	N3	H6	109.154

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: B2PLYP=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)