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	hartrees
Energy at 0K	-132.458867
Energy at 298.15K	-132.460984
HF Energy	-131.900862
Nuclear repulsion energy	59.152645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3541	3359
2	A'	3481	3302
3	A'	2203	2090
4	A'	1647	1563
5	A'	1054	1000
6	A'	722	685
7	A'	496	470
8	A'	386	366
9	A"	3630	3443
10	A"	1223	1160
11	A"	650	616
12	A"	344	326

Atom	x (Å)	y (Å)	z (Å)
C1	-0.032	1.373	0.000
C2	0.000	0.162	0.000
N3	0.118	-1.201	0.000
H4	-0.067	2.434	0.000
H5	-0.284	-1.619	0.827
H6	-0.284	-1.619	-0.827

	C1	C2	N3	H4	H5	H6
C1		1.2114	2.5777	1.0616	3.1146	3.1146
C2	1.2114		1.3675	2.2729	1.9843	1.9843
N3	2.5777	1.3675		3.6390	1.0105	1.0105
H4	1.0616	2.2729	3.6390		4.1424	4.1424
H5	3.1146	1.9843	1.0105	4.1424		1.6550
H6	3.1146	1.9843	1.0105	4.1424	1.6550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.561	C2	C1	H4	179.625
C2	N3	H5	112.246	C2	N3	H6	112.246
H5	N3	H6	109.938

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVTZ

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)