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	hartrees
Energy at 0K	-132.371206
Energy at 298.15K	-132.373537
HF Energy	-131.901974
Nuclear repulsion energy	59.784777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3681	3394	26.62
2	A'	3565	3286	93.84
3	A'	2318	2137	115.32
4	A'	1703	1570	29.73
5	A'	1103	1017	16.27
6	A'	680	627	190.24
7	A'	580	534	90.31
8	A'	467	431	27.53
9	A"	3774	3479	46.73
10	A"	1249	1151	0.62
11	A"	752	693	39.87
12	A"	389	358	8.66

Atom	x (Å)	y (Å)	z (Å)
C1	-0.053	1.356	0.000
C2	0.000	0.164	0.000
N3	0.126	-1.183	0.000
H4	-0.107	2.411	0.000
H5	-0.227	-1.624	0.828
H6	-0.227	-1.624	-0.828

	C1	C2	N3	H4	H5	H6
C1		1.1935	2.5460	1.0562	3.0979	3.0979
C2	1.1935		1.3532	2.2496	1.9833	1.9833
N3	2.5460	1.3532		3.6020	1.0018	1.0018
H4	1.0562	2.2496	3.6020		4.1208	4.1208
H5	3.0979	1.9833	1.0018	4.1208		1.6557
H6	3.0979	1.9833	1.0018	4.1208	1.6557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.228	C2	C1	H4	179.657
C2	N3	H5	113.897	C2	N3	H6	113.897
H5	N3	H6	111.448

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CISD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)