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	hartrees
Energy at 0K	-132.326373
Energy at 298.15K	-132.328391
HF Energy	-131.868372
Nuclear repulsion energy	58.712776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3551	3425	14.19
2	A'	3484	3360	78.42
3	A'	2241	2162	94.06
4	A'	1647	1589	24.09
5	A'	1058	1021	12.32
6	A'	703	678	177.96
7	A'	489	472	90.35
8	A'	350	338	8.31
9	A"	3646	3516	30.51
10	A"	1220	1177	1.27
11	A"	614	592	43.70
12	A"	317	306	3.59

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.384	0.000
C2	0.000	0.162	0.000
N3	0.111	-1.209	0.000
H4	-0.056	2.457	0.000
H5	-0.288	-1.633	0.833
H6	-0.288	-1.633	-0.833

	C1	C2	N3	H4	H5	H6
C1		1.2218	2.5962	1.0737	3.1411	3.1411
C2	1.2218		1.3756	2.2955	2.0003	2.0003
N3	2.5962	1.3756		3.6698	1.0166	1.0166
H4	1.0737	2.2955	3.6698		4.1807	4.1807
H5	3.1411	2.0003	1.0166	4.1807		1.6663
H6	3.1411	2.0003	1.0166	4.1807	1.6663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.492	C2	C1	H4	179.366
C2	N3	H5	112.604	C2	N3	H6	112.604
H5	N3	H6	110.067

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCD/aug-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: CCD/aug-cc-pVDZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)