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	hartrees
Energy at 0K	-132.434490
Energy at 298.15K	-132.436564
HF Energy	-131.896760
Nuclear repulsion energy	59.154837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3551	3395
2	A'	3495	3342
3	A'	2213	2116
4	A'	1654	1581
5	A'	1056	1009
6	A'	739	706
7	A'	515	492
8	A'	405	387
9	A"	3645	3484
10	A"	1215	1162
11	A"	627	600
12	A"	286	273

Atom	x (Å)	y (Å)	z (Å)
C1	0.126	1.367	0.000
C2	0.000	0.163	0.000
N3	-0.006	-1.204	0.000
H4	0.149	2.429	0.000
H5	-0.430	-1.593	0.832
H6	-0.430	-1.593	-0.832

	C1	C2	N3	H4	H5	H6
C1		1.2108	2.5746	1.0619	3.1244	3.1244
C2	1.2108		1.3669	2.2708	1.9898	1.9898
N3	2.5746	1.3669		3.6362	1.0114	1.0114
H4	1.0619	2.2708	3.6362		4.1473	4.1473
H5	3.1244	1.9898	1.0114	4.1473		1.6637
H6	3.1244	1.9898	1.0114	4.1473	1.6637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.291	C2	C1	H4	175.248
C2	N3	H5	112.720	C2	N3	H6	112.720
H5	N3	H6	110.672

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCSD(T)=FULL/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(T)=FULL/TZVP

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)