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	hartrees
Energy at 0K	-132.362490
Energy at 298.15K	-132.364571
HF Energy	-131.875152
Nuclear repulsion energy	59.172110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3597	3407	18.05
2	A'	3510	3325	74.37
3	A'	2212	2095	78.22
4	A'	1720	1629	40.53
5	A'	1074	1017	9.55
6	A'	741	702	268.66
7	A'	495	469	78.99
8	A'	361	342	17.64
9	A"	3697	3501	28.39
10	A"	1250	1184	0.02
11	A"	618	585	43.08
12	A"	350	331	4.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.046	1.374	0.000
C2	0.000	0.159	0.000
N3	0.054	-1.201	0.000
H4	0.029	2.437	0.000
H5	-0.340	-1.614	0.832
H6	-0.340	-1.614	-0.832

	C1	C2	N3	H4	H5	H6
C1		1.2159	2.5746	1.0631	3.1253	3.1253
C2	1.2159		1.3607	2.2782	1.9876	1.9876
N3	2.5746	1.3607		3.6377	1.0094	1.0094
H4	1.0631	2.2782	3.6377		4.1516	4.1516
H5	3.1253	1.9876	1.0094	4.1516		1.6648
H6	3.1253	1.9876	1.0094	4.1516	1.6648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.577	C2	C1	H4	176.959
C2	N3	H5	113.158	C2	N3	H6	113.158
H5	N3	H6	111.106

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: MP2=FULL/6-311G*

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: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)