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	hartrees
Energy at 0K	-132.256338
Energy at 298.15K	-132.258640
HF Energy	-131.861278
Nuclear repulsion energy	59.043673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3629	3345	15.79
2	A'	3565	3286	84.77
3	A'	2312	2132	76.17
4	A'	1683	1551	23.05
5	A'	1090	1005	10.23
6	A'	787	726	205.18
7	A'	560	517	79.24
8	A'	432	398	12.31
9	A"	3719	3428	27.85
10	A"	1262	1163	0.56
11	A"	722	666	33.42
12	A"	374	345	4.78

Atom	x (Å)	y (Å)	z (Å)
C1	-0.092	1.371	0.000
C2	0.000	0.162	0.000
N3	0.172	-1.198	0.000
H4	-0.179	2.437	0.000
H5	-0.237	-1.623	0.825
H6	-0.237	-1.623	-0.825

	C1	C2	N3	H4	H5	H6
C1		1.2123	2.5820	1.0698	3.1082	3.1082
C2	1.2123		1.3705	2.2821	1.9802	1.9802
N3	2.5820	1.3705		3.6516	1.0142	1.0142
H4	1.0698	2.2821	3.6516		4.1428	4.1428
H5	3.1082	1.9802	1.0142	4.1428		1.6506
H6	3.1082	1.9802	1.0142	4.1428	1.6506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.133	C2	C1	H4	179.673
C2	N3	H5	111.394	C2	N3	H6	111.394
H5	N3	H6	108.928

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CISD/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: CISD/cc-pVDZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)