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	hartrees
Energy at 0K	-132.360942
Energy at 298.15K	-132.363056
HF Energy	-131.897629
Nuclear repulsion energy	59.300560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3584	3420	15.37
2	A'	3517	3356	75.27
3	A'	2256	2153	81.34
4	A'	1670	1594	33.16
5	A'	1067	1019	10.94
6	A'	736	703	233.64
7	A'	524	500	85.19
8	A'	407	388	10.06
9	A"	3677	3509	26.13
10	A"	1229	1173	0.43
11	A"	647	617	40.58
12	A"	302	288	5.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.075	1.367	0.000
C2	0.000	0.164	0.000
N3	0.032	-1.201	0.000
H4	0.075	2.428	0.000
H5	-0.375	-1.603	0.831
H6	-0.375	-1.603	-0.831

	C1	C2	N3	H4	H5	H6
C1		1.2053	2.5681	1.0610	3.1164	3.1164
C2	1.2053		1.3652	2.2652	1.9882	1.9882
N3	2.5681	1.3652		3.6290	1.0093	1.0093
H4	1.0610	2.2652	3.6290		4.1399	4.1399
H5	3.1164	1.9882	1.0093	4.1399		1.6627
H6	3.1164	1.9882	1.0093	4.1399	1.6627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.083	C2	C1	H4	176.448
C2	N3	H5	112.854	C2	N3	H6	112.854
H5	N3	H6	110.911

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCSD/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: CCSD/TZVP

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)