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	hartrees
Energy at 0K	-132.376190
Energy at 298.15K	-132.378379
HF Energy	-131.865417
Nuclear repulsion energy	59.310209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3592	3403	15.89
2	A'	3547	3361	81.43
3	A'	2272	2152	60.76
4	A'	1674	1585	25.56
5	A'	1072	1015	8.25
6	A'	741	702	207.23
7	A'	521	493	81.17
8	A'	410	388	9.11
9	A"	3682	3488	28.08
10	A"	1234	1169	0.20
11	A"	683	647	34.83
12	A"	355	336	3.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.058	1.367	0.000
C2	0.000	0.163	0.000
N3	0.140	-1.195	0.000
H4	-0.121	2.425	0.000
H5	-0.255	-1.622	0.826
H6	-0.255	-1.622	-0.826

	C1	C2	N3	H4	H5	H6
C1		1.2054	2.5693	1.0603	3.1070	3.1070
C2	1.2054		1.3649	2.2656	1.9831	1.9831
N3	2.5693	1.3649		3.6294	1.0104	1.0104
H4	1.0603	2.2656	3.6294		4.1327	4.1327
H5	3.1070	1.9831	1.0104	4.1327		1.6519
H6	3.1070	1.9831	1.0104	4.1327	1.6519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.874	C2	C1	H4	179.351
C2	N3	H5	112.354	C2	N3	H6	112.354
H5	N3	H6	109.671

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)