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	hartrees
Energy at 0K	-132.310082
Energy at 298.15K	-132.311981
HF Energy	-131.867022
Nuclear repulsion energy	58.605920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3541	3396	17.30
2	A'	3499	3356	84.28
3	A'	2179	2089	99.84
4	A'	1625	1558	23.67
5	A'	1057	1014	12.46
6	A'	682	654	179.89
7	A'	476	457	84.36
8	A'	304	291	10.95
9	A"	3645	3496	39.54
10	A"	1202	1152	0.94
11	A"	574	550	46.96
12	A"	301	289	2.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.389	0.000
C2	0.000	0.157	0.000
N3	0.060	-1.212	0.000
H4	0.041	2.461	0.000
H5	-0.349	-1.627	0.834
H6	-0.349	-1.627	-0.834

	C1	C2	N3	H4	H5	H6
C1		1.2322	2.6012	1.0723	3.1527	3.1527
C2	1.2322		1.3709	2.3042	2.0000	2.0000
N3	2.6012	1.3709		3.6734	1.0174	1.0174
H4	1.0723	2.3042	3.6734		4.1902	4.1902
H5	3.1527	2.0000	1.0174	4.1902		1.6686
H6	3.1527	2.0000	1.0174	4.1902	1.6686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.657	C2	C1	H4	178.269
C2	N3	H5	112.908	C2	N3	H6	112.908
H5	N3	H6	110.178

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP2/aug-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: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)