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	hartrees
Energy at 0K	-187.942027
Energy at 298.15K
HF Energy	-187.715992
Nuclear repulsion energy	102.052325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3651	3651	25.25
2	A	3560	3560	2.50
3	A	2365	2365	0.40
4	A	1669	1669	11.13
5	A	1206	1206	0.08
6	A	823	823	3.20
7	A	554	554	160.83
8	A	406	406	12.37
9	A	388	388	13.12
10	A	177	177	22.89
11	B	3651	3651	24.03
12	B	3563	3563	12.25
13	B	1670	1670	33.90
14	B	1371	1371	115.44
15	B	1206	1206	0.07
16	B	610	610	335.00
17	B	389	389	16.75
18	B	178	178	24.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	0.604	0.053
C2	-0.003	-0.604	0.053
N3	-0.003	1.954	-0.082
N4	0.003	-1.954	-0.082
H5	-0.346	2.468	0.716
H6	0.840	2.356	-0.462
H7	0.346	-2.468	0.716
H8	-0.840	-2.356	-0.462

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2076	1.3570	2.5614	2.0089	2.0087	3.1608	3.1203
C2	1.2076		2.5614	1.3570	3.1608	3.1203	2.0089	2.0087
N3	1.3570	2.5614		3.9082	1.0085	1.0087	4.5066	4.4069
N4	2.5614	1.3570	3.9082		4.5066	4.4069	1.0085	1.0087
H5	2.0089	3.1608	1.0085	4.5066		1.6752	4.9834	4.9896
H6	2.0087	3.1203	1.0087	4.4069	1.6752		4.9896	5.0025
H7	3.1608	2.0089	4.5066	1.0085	4.9834	4.9896		1.6752
H8	3.1203	2.0087	4.4069	1.0087	4.9896	5.0025	1.6752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.288	C1	N3	H5	115.467
C1	N3	H6	115.438	C2	C1	N3	174.288
C2	N4	H7	115.467	C2	N4	H8	115.438
H5	N3	H6	112.285	H7	N4	H8	112.285

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: B2PLYP=FULLultrafine/TZVP

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: B2PLYP=FULLultrafine/TZVP

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)