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	hartrees
Energy at 0K	-187.866971
Energy at 298.15K	-187.870787
HF Energy	-187.662047
Nuclear repulsion energy	101.591083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3682	3502	33.96
2	A	3582	3406	1.43
3	A	2363	2247	0.17
4	A	1676	1594	11.30
5	A	1204	1145	0.08
6	A	826	786	2.83
7	A	554	527	166.67
8	A	402	382	11.95
9	A	376	357	16.10
10	A	171	162	21.86
11	B	3682	3502	32.50
12	B	3584	3409	14.31
13	B	1678	1595	37.14
14	B	1377	1309	127.14
15	B	1203	1144	0.09
16	B	605	575	330.00
17	B	371	353	17.34
18	B	167	159	22.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.608	0.036
C2	-0.006	-0.608	0.036
N3	-0.006	1.967	-0.072
N4	0.006	-1.967	-0.072
H5	-0.350	2.467	0.737
H6	0.834	2.383	-0.450
H7	0.350	-2.467	0.737
H8	-0.834	-2.383	-0.450

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2170	1.3628	2.5777	2.0179	2.0178	3.1730	3.1452
C2	1.2170		2.5777	1.3628	3.1730	3.1452	2.0179	2.0178
N3	1.3628	2.5777		3.9340	1.0107	1.0109	4.5211	4.4446
N4	2.5777	1.3628	3.9340		4.5211	4.4446	1.0107	1.0109
H5	2.0179	3.1730	1.0107	4.5211		1.6780	4.9833	5.0169
H6	2.0178	3.1452	1.0109	4.4446	1.6780		5.0169	5.0501
H7	3.1730	2.0179	4.5211	1.0107	4.9833	5.0169		1.6780
H8	3.1452	2.0178	4.4446	1.0109	5.0169	5.0501	1.6780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	175.363	C1	N3	H5	115.672
C1	N3	H6	115.648	C2	C1	N3	175.363
C2	N4	H7	115.672	C2	N4	H8	115.648
H5	N3	H6	112.211	H7	N4	H8	112.211

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: B2PLYP=FULL/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)