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	hartrees
Energy at 0K	-132.477917
Energy at 298.15K	-132.480109
HF Energy	-131.906553
Nuclear repulsion energy	59.391726

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3576	3576	24.73
2	A'	3520	3520	87.09
3	A'	2204	2204	97.46
4	A'	1647	1647	26.74
5	A'	1071	1071	12.98
6	A'	686	686	200.51
7	A'	542	542	94.80
8	A'	417	417	9.71
9	A"	3674	3674	44.65
10	A"	1214	1214	0.20
11	A"	685	685	43.44
12	A"	359	359	6.49

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.369	0.000
C2	0.000	0.159	0.000
N3	0.106	-1.193	0.000
H4	-0.051	2.426	0.000
H5	-0.276	-1.621	0.828
H6	-0.276	-1.621	-0.828

	C1	C2	N3	H4	H5	H6
C1		1.2104	2.5653	1.0574	3.1130	3.1130
C2	1.2104		1.3560	2.2678	1.9824	1.9824
N3	2.5653	1.3560		3.6225	1.0072	1.0072
H4	1.0574	2.2678	3.6225		4.1371	4.1371
H5	3.1130	1.9824	1.0072	4.1371		1.6560
H6	3.1130	1.9824	1.0072	4.1371	1.6560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.612	C2	C1	H4	179.568
C2	N3	H5	113.213	C2	N3	H6	113.213
H5	N3	H6	110.587

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP2=FULL/Def2TZVPP

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=FULL/Def2TZVPP

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)