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	hartrees
Energy at 0K	-132.329282
Energy at 298.15K	-132.331334
HF Energy	-131.858522
Nuclear repulsion energy	58.505302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3513	3383
2	A'	3481	3353
3	A'	2198	2117
4	A'	1637	1577
5	A'	1048	1009
6	A'	799	769
7	A'	491	473
8	A'	337	325
9	A"	3603	3471
10	A"	1231	1185
11	A"	632	609
12	A"	323	311

Atom	x (Å)	y (Å)	z (Å)
C1	-0.044	1.387	0.000
C2	0.000	0.159	0.000
N3	0.140	-1.215	0.000
H4	-0.097	2.462	0.000
H5	-0.307	-1.618	0.826
H6	-0.307	-1.618	-0.826

	C1	C2	N3	H4	H5	H6
C1		1.2284	2.6083	1.0761	3.1278	3.1278
C2	1.2284		1.3813	2.3044	1.9842	1.9842
N3	2.6083	1.3813		3.6843	1.0222	1.0222
H4	1.0761	2.3044	3.6843		4.1682	4.1682
H5	3.1278	1.9842	1.0222	4.1682		1.6526
H6	3.1278	1.9842	1.0222	4.1682	1.6526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.271	C2	C1	H4	179.288
C2	N3	H5	110.390	C2	N3	H6	110.390
H5	N3	H6	107.866

All results from a given calculation for HCCNH₂ (Ethynamine)

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

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-pVDZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)