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	hartrees
Energy at 0K	-22.510120
Energy at 298.15K	-22.511848
HF Energy	-22.247173
Nuclear repulsion energy	30.870039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3632	3510	37.91
2	A'	3471	3354	62.15
3	A'	2161	2088	100.80
4	A'	1702	1645	46.94
5	A'	1040	1005	20.27
6	A'	559	540	124.31
7	A'	356	344	1.76
8	A'	245	237	459.99
9	A"	3772	3645	38.62
10	A"	1185	1145	5.36
11	A"	709	685	77.18
12	A"	333	322	8.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.024	1.434	0.000
C2	0.000	0.161	0.000
N3	0.014	-1.230	0.000
H4	0.041	2.509	0.000
H5	-0.143	-1.732	0.871
H6	-0.143	-1.732	-0.871

	C1	C2	N3	H4	H5	H6
C1		1.2735	2.6645	1.0750	3.2882	3.2882
C2	1.2735		1.3913	2.3484	2.0887	2.0887
N3	2.6645	1.3913		3.7394	1.0172	1.0172
H4	1.0750	2.3484	3.7394		4.3336	4.3336
H5	3.2882	2.0887	1.0172	4.3336		1.7412
H6	3.2882	2.0887	1.0172	4.3336	1.7412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	178.320	C2	C1	H4	179.788
C2	N3	H5	119.462	C2	N3	H6	119.462
H5	N3	H6	117.708

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP2/CEP-31G

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/CEP-31G

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)