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	hartrees
Energy at 0K	-132.304221
Energy at 298.15K	-132.306231
HF Energy	-131.841907
Nuclear repulsion energy	58.833648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3505	3505
2	A'	3490	3490
3	A'	2224	2224
4	A'	1695	1695
5	A'	1063	1063
6	A'	760	760
7	A'	489	489
8	A'	367	367
9	A"	3598	3598
10	A"	1240	1240
11	A"	594	594
12	A"	306	306

Atom	x (Å)	y (Å)	z (Å)
C1	0.138	1.373	0.000
C2	0.000	0.163	0.000
N3	-0.006	-1.211	0.000
H4	0.118	2.442	0.000
H5	-0.451	-1.594	0.832
H6	-0.451	-1.594	-0.832

	C1	C2	N3	H4	H5	H6
C1		1.2180	2.5881	1.0683	3.1379	3.1379
C2	1.2180		1.3740	2.2813	1.9961	1.9961
N3	2.5881	1.3740		3.6543	1.0184	1.0184
H4	1.0683	2.2813	3.6543		4.1597	4.1597
H5	3.1379	1.9961	1.0184	4.1597		1.6643
H6	3.1379	1.9961	1.0184	4.1597	1.6643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.757	C2	C1	H4	172.425
C2	N3	H5	112.247	C2	N3	H6	112.247
H5	N3	H6	109.594

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: QCISD(T)=FULL/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)