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	hartrees
Energy at 0K	-132.522134
Energy at 298.15K	-132.524268
HF Energy	-131.903805
Nuclear repulsion energy	59.386906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3557	3428
2	A'	3490	3364
3	A'	2215	2135
4	A'	1655	1595
5	A'	1065	1026
6	A'	685	660
7	A'	497	479
8	A'	404	389
9	A"	3637	3505
10	A"	1213	1169
11	A"	665	641
12	A"	349	337

Atom	x (Å)	y (Å)	z (Å)
C1	-0.070	1.366	0.000
C2	0.000	0.161	0.000
N3	0.144	-1.190	0.000
H4	-0.128	2.421	0.000
H5	-0.229	-1.627	0.830
H6	-0.229	-1.627	-0.830

	C1	C2	N3	H4	H5	H6
C1		1.2072	2.5658	1.0559	3.1103	3.1103
C2	1.2072		1.3594	2.2631	1.9845	1.9845
N3	2.5658	1.3594		3.6214	1.0087	1.0087
H4	1.0559	2.2631	3.6214		4.1331	4.1331
H5	3.1103	1.9845	1.0087	4.1331		1.6591
H6	3.1103	1.9845	1.0087	4.1331	1.6591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.261	C2	C1	H4	179.822
C2	N3	H5	113.036	C2	N3	H6	113.036
H5	N3	H6	110.657

All results from a given calculation for HCCNH₂ (Ethynamine)

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

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)