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	hartrees
Energy at 0K	-132.357826
Energy at 298.15K	-132.359680
HF Energy	-131.866966
Nuclear repulsion energy	58.508291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3510	3405
2	A'	3462	3358
3	A'	2176	2111
4	A'	1629	1581
5	A'	1042	1011
6	A'	696	675
7	A'	464	450
8	A'	279	270
9	A"	3605	3498
10	A"	1205	1169
11	A"	583	566
12	A"	289	280

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	1.390	0.000
C2	0.000	0.160	0.000
N3	0.077	-1.215	0.000
H4	0.009	2.465	0.000
H5	-0.337	-1.629	0.834
H6	-0.337	-1.629	-0.834

	C1	C2	N3	H4	H5	H6
C1		1.2303	2.6063	1.0749	3.1524	3.1524
C2	1.2303		1.3777	2.3050	2.0023	2.0023
N3	2.6063	1.3777		3.6811	1.0189	1.0189
H4	1.0749	2.3050	3.6811		4.1922	4.1922
H5	3.1524	2.0023	1.0189	4.1922		1.6684
H6	3.1524	2.0023	1.0189	4.1922	1.6684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.828	C2	C1	H4	178.429
C2	N3	H5	112.471	C2	N3	H6	112.471
H5	N3	H6	109.918

All results from a given calculation for HCCNH₂ (Ethynamine)

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

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)