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	hartrees
Energy at 0K	-187.689446
Energy at 298.15K	-187.693604
HF Energy	-186.951532
Nuclear repulsion energy	102.014918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3697	3493	25.84
2	A	3611	3411	2.70
3	A	2443	2308	0.09
4	A	1681	1588	11.31
5	A	1237	1169	0.38
6	A	830	784	8.60
7	A	656	620	101.58
8	A	429	405	2.96
9	A	344	325	28.23
10	A	221	209	18.20
11	B	3698	3493	25.16
12	B	3612	3412	19.53
13	B	1680	1587	30.80
14	B	1361	1285	100.45
15	B	1237	1168	0.39
16	B	709	670	316.90
17	B	429	405	17.21
18	B	222	209	20.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	0.601	0.061
C2	-0.002	-0.601	0.061
N3	-0.002	1.952	-0.091
N4	0.002	-1.952	-0.091
H5	-0.323	2.456	0.716
H6	0.859	2.330	-0.444
H7	0.323	-2.456	0.716
H8	-0.859	-2.330	-0.444

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2019	1.3600	2.5579	1.9944	1.9947	3.1432	3.0963
C2	1.2019		2.5579	1.3600	3.1432	3.0963	1.9944	1.9947
N3	1.3600	2.5579		3.9050	1.0038	1.0040	4.4938	4.3818
N4	2.5579	1.3600	3.9050		4.4938	4.3818	1.0038	1.0040
H5	1.9944	3.1432	1.0038	4.4938		1.6603	4.9550	4.9541
H6	1.9947	3.0963	1.0040	4.3818	1.6603		4.9541	4.9668
H7	3.1432	1.9944	4.4938	1.0038	4.9550	4.9541		1.6603
H8	3.0963	1.9947	4.3818	1.0040	4.9541	4.9668	1.6603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	173.596	C1	N3	H5	114.220
C1	N3	H6	114.236	C2	C1	N3	173.596
C2	N4	H7	114.220	C2	N4	H8	114.236
H5	N3	H6	111.565	H7	N4	H8	111.565

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: MP3/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 NH2CCNH2 (Diaminoacetylene)

using model chemistry: MP3/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)