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	hartrees
Energy at 0K	-187.884515
Energy at 298.15K	-187.888320
HF Energy	-187.675705
Nuclear repulsion energy	101.376191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3636	3497	27.08
2	A	3540	3405	0.82
3	A	2357	2267	0.11
4	A	1642	1580	7.88
5	A	1193	1147	0.30
6	A	817	786	2.70
7	A	547	526	119.46
8	A	386	371	10.90
9	A	373	359	15.90
10	A	168	161	18.65
11	B	3636	3497	26.30
12	B	3543	3407	7.43
13	B	1643	1580	24.73
14	B	1365	1312	118.73
15	B	1193	1147	0.28
16	B	602	579	271.78
17	B	374	359	15.78
18	B	169	162	20.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.611	0.041
C2	-0.005	-0.611	0.041
N3	-0.005	1.969	-0.076
N4	0.005	-1.969	-0.076
H5	-0.342	2.472	0.736
H6	0.842	2.379	-0.450
H7	0.342	-2.472	0.736
H8	-0.842	-2.379	-0.450

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2221	1.3630	2.5826	2.0167	2.0171	3.1783	3.1467
C2	1.2221		2.5826	1.3630	3.1783	3.1467	2.0167	2.0171
N3	1.3630	2.5826		3.9379	1.0129	1.0130	4.5280	4.4439
N4	2.5826	1.3630	3.9379		4.5280	4.4439	1.0129	1.0130
H5	2.0167	3.1783	1.0129	4.5280		1.6784	4.9912	5.0193
H6	2.0171	3.1467	1.0130	4.4439	1.6784		5.0193	5.0481
H7	3.1783	2.0167	4.5280	1.0129	4.9912	5.0193		1.6784
H8	3.1467	2.0171	4.4439	1.0130	5.0193	5.0481	1.6784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.988	C1	N3	H5	115.376
C1	N3	H6	115.403	C2	C1	N3	174.988
C2	N4	H7	115.376	C2	N4	H8	115.403
H5	N3	H6	111.877	H7	N4	H8	111.877

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: B2PLYP=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 NH2CCNH2 (Diaminoacetylene)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)