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	hartrees
Energy at 0K	-132.459628
Energy at 298.15K	-132.461234
HF Energy	-132.360000
Nuclear repulsion energy	59.072917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3653	3653	36.83
2	A'	3530	3530	73.46
3	A'	2239	2239	93.25
4	A'	1720	1720	50.25
5	A'	1107	1107	18.36
6	A'	479	479	6.62
7	A'	314	314	520.14
8	A'	226	226	63.46
9	A"	3774	3774	41.30
10	A"	1196	1196	8.32
11	A"	681	681	46.06
12	A"	341	341	8.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	1.385	0.000
C2	0.000	0.163	0.000
N3	-0.002	-1.188	0.000
H4	0.005	2.447	0.000
H5	-0.004	-1.706	0.861
H6	-0.004	-1.706	-0.861

	C1	C2	N3	H4	H5	H6
C1		1.2218	2.5729	1.0625	3.2084	3.2084
C2	1.2218		1.3511	2.2843	2.0577	2.0577
N3	2.5729	1.3511		3.6354	1.0047	1.0047
H4	1.0625	2.2843	3.6354		4.2415	4.2415
H5	3.2084	2.0577	1.0047	4.2415		1.7220
H6	3.2084	2.0577	1.0047	4.2415	1.7220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	179.957	C2	C1	H4	179.979
C2	N3	H5	121.020	C2	N3	H6	121.020
H5	N3	H6	117.961

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)