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	hartrees
Energy at 0K	-132.504594
Energy at 298.15K	-132.506751
HF Energy	-131.901763
Nuclear repulsion energy	59.394745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3564	3414
2	A'	3500	3353
3	A'	2227	2133
4	A'	1659	1589
5	A'	1069	1024
6	A'	705	675
7	A'	497	476
8	A'	408	391
9	A"	3651	3497
10	A"	1223	1171
11	A"	655	627
12	A"	361	346

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.367	0.000
C2	0.000	0.161	0.000
N3	0.128	-1.193	0.000
H4	-0.093	2.422	0.000
H5	-0.257	-1.621	0.828
H6	-0.257	-1.621	-0.828

	C1	C2	N3	H4	H5	H6
C1		1.2066	2.5660	1.0561	3.1074	3.1074
C2	1.2066		1.3603	2.2627	1.9817	1.9817
N3	2.5660	1.3603		3.6218	1.0080	1.0080
H4	1.0561	2.2627	3.6218		4.1301	4.1301
H5	3.1074	1.9817	1.0080	4.1301		1.6552
H6	3.1074	1.9817	1.0080	4.1301	1.6552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.888	C2	C1	H4	179.836
C2	N3	H5	112.752	C2	N3	H6	112.752
H5	N3	H6	110.378

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCSD(T)=FULL/cc-pVTZ

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: CCSD(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)