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	hartrees
Energy at 0K	-130.369087
Energy at 298.15K	-130.371265
HF Energy	-130.167844
Nuclear repulsion energy	57.487082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3747	3330	111.01
2	A'	3612	3211	2.96
3	A'	2339	2079	0.60
4	A'	1867	1660	8.21
5	A'	1126	1001	49.09
6	A'	940	836	50.23
7	A'	683	607	18.45
8	A'	383	341	10.76
9	A"	3795	3374	1.02
10	A"	1398	1243	1.34
11	A"	739	657	13.25
12	A"	365	324	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.032	1.400	0.000
C2	0.000	0.182	0.000
N3	0.152	-1.252	0.000
H4	-0.070	2.478	0.000
H5	-0.401	-1.604	0.830
H6	-0.401	-1.604	-0.830

	C1	C2	N3	H4	H5	H6
C1		1.2188	2.6583	1.0784	3.1387	3.1387
C2	1.2188		1.4416	2.2971	2.0098	2.0098
N3	2.6583	1.4416		3.7362	1.0575	1.0575
H4	1.0784	2.2971	3.7362		4.1787	4.1787
H5	3.1387	2.0098	1.0575	4.1787		1.6601
H6	3.1387	2.0098	1.0575	4.1787	1.6601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.458	C2	C1	H4	179.493
C2	N3	H5	106.046	C2	N3	H6	106.046
H5	N3	H6	103.418

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)