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	hartrees
Energy at 0K	-132.416485
Energy at 298.15K	-132.418614
HF Energy	-131.899916
Nuclear repulsion energy	59.291653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3580	3377	24.87
2	A'	3502	3303	88.12
3	A'	2197	2073	107.84
4	A'	1644	1551	27.69
5	A'	1071	1010	14.52
6	A'	665	627	188.56
7	A'	514	485	95.86
8	A'	403	380	6.40
9	A"	3682	3473	49.42
10	A"	1204	1135	0.44
11	A"	654	617	42.49
12	A"	351	331	6.25

Atom	x (Å)	y (Å)	z (Å)
C1	-0.007	1.372	0.000
C2	0.000	0.159	0.000
N3	0.090	-1.195	0.000
H4	-0.021	2.432	0.000
H5	-0.285	-1.627	0.832
H6	-0.285	-1.627	-0.832

	C1	C2	N3	H4	H5	H6
C1		1.2123	2.5681	1.0611	3.1240	3.1240
C2	1.2123		1.3569	2.2734	1.9907	1.9907
N3	2.5681	1.3569		3.6289	1.0095	1.0095
H4	1.0611	2.2734	3.6289		4.1520	4.1520
H5	3.1240	1.9907	1.0095	4.1520		1.6636
H6	3.1240	1.9907	1.0095	4.1520	1.6636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.509	C2	C1	H4	179.536
C2	N3	H5	113.729	C2	N3	H6	113.729
H5	N3	H6	110.977

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP2/6-311+G(3df,2p)

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: MP2/6-311+G(3df,2p)

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)