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	hartrees
Energy at 0K	-132.320859
Energy at 298.15K	-132.322996
HF Energy	-131.875968
Nuclear repulsion energy	59.201675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3586	3425	11.19
2	A'	3486	3329	67.73
3	A'	2263	2162	73.52
4	A'	1730	1653	39.32
5	A'	1071	1023	8.73
6	A'	766	732	260.74
7	A'	505	482	85.55
8	A'	381	364	13.68
9	A"	3675	3510	18.61
10	A"	1264	1207	0.03
11	A"	646	617	41.37
12	A"	352	336	4.40

Atom	x (Å)	y (Å)	z (Å)
C1	-0.004	1.371	0.000
C2	0.000	0.163	0.000
N3	0.095	-1.201	0.000
H4	-0.043	2.436	0.000
H5	-0.300	-1.618	0.831
H6	-0.300	-1.618	-0.831

	C1	C2	N3	H4	H5	H6
C1		1.2075	2.5734	1.0654	3.1164	3.1164
C2	1.2075		1.3673	2.2726	1.9884	1.9884
N3	2.5734	1.3673		3.6388	1.0102	1.0102
H4	1.0654	2.2726	3.6388		4.1458	4.1458
H5	3.1164	1.9884	1.0102	4.1458		1.6618
H6	3.1164	1.9884	1.0102	4.1458	1.6618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.197	C2	C1	H4	178.081
C2	N3	H5	112.645	C2	N3	H6	112.645
H5	N3	H6	110.675

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCD/6-311G*

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: CCD/6-311G*

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)