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	hartrees
Energy at 0K	-132.407638
Energy at 298.15K	-132.409799
HF Energy	-131.898387
Nuclear repulsion energy	59.507596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3624	3384	20.00
2	A'	3551	3315	83.32
3	A'	2304	2151	95.51
4	A'	1676	1565	35.34
5	A'	1084	1012	13.35
6	A'	727	679	237.78
7	A'	536	501	91.31
8	A'	414	387	9.99
9	A"	3715	3469	30.77
10	A"	1232	1150	0.34
11	A"	669	625	43.05
12	A"	319	298	5.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.059	1.362	0.000
C2	0.000	0.164	0.000
N3	0.043	-1.196	0.000
H4	0.054	2.421	0.000
H5	-0.353	-1.604	0.831
H6	-0.353	-1.604	-0.831

	C1	C2	N3	H4	H5	H6
C1		1.1995	2.5584	1.0583	3.1077	3.1077
C2	1.1995		1.3609	2.2571	1.9852	1.9852
N3	2.5584	1.3609		3.6167	1.0066	1.0066
H4	1.0583	2.2571	3.6167		4.1295	4.1295
H5	3.1077	1.9852	1.0066	4.1295		1.6614
H6	3.1077	1.9852	1.0066	4.1295	1.6614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.391	C2	C1	H4	176.947
C2	N3	H5	113.112	C2	N3	H6	113.112
H5	N3	H6	111.225

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP3=FULL/TZVP

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: MP3=FULL/TZVP

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)