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	hartrees
Energy at 0K	-187.701108
Energy at 298.15K	-187.705201
HF Energy	-186.954809
Nuclear repulsion energy	101.904487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3674	3516	30.40
2	A	3584	3430	1.44
3	A	2420	2316	0.12
4	A	1681	1609	10.10
5	A	1231	1178	0.74
6	A	823	788	7.59
7	A	641	614	102.22
8	A	418	400	3.76
9	A	337	323	26.78
10	A	215	206	17.60
11	B	3674	3516	29.56
12	B	3585	3431	17.52
13	B	1681	1609	32.00
14	B	1354	1296	108.70
15	B	1231	1178	0.72
16	B	691	662	278.60
17	B	417	399	16.87
18	B	215	206	19.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	0.602	0.052
C2	-0.003	-0.602	0.052
N3	-0.003	1.956	-0.085
N4	0.003	-1.956	-0.085
H5	-0.330	2.457	0.724
H6	0.853	2.345	-0.444
H7	0.330	-2.457	0.724
H8	-0.853	-2.345	-0.444

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2031	1.3615	2.5614	2.0015	2.0018	3.1488	3.1078
C2	1.2031		2.5614	1.3615	3.1488	3.1078	2.0015	2.0018
N3	1.3615	2.5614		3.9123	1.0061	1.0062	4.4993	4.3987
N4	2.5614	1.3615	3.9123		4.4993	4.3987	1.0061	1.0062
H5	2.0015	3.1488	1.0061	4.4993		1.6659	4.9586	4.9695
H6	2.0018	3.1078	1.0062	4.3987	1.6659		4.9695	4.9901
H7	3.1488	2.0015	4.4993	1.0061	4.9586	4.9695		1.6659
H8	3.1078	2.0018	4.3987	1.0062	4.9695	4.9901	1.6659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.216	C1	N3	H5	114.594
C1	N3	H6	114.610	C2	C1	N3	174.216
C2	N4	H7	114.594	C2	N4	H8	114.610
H5	N3	H6	111.766	H7	N4	H8	111.766

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: CCD/aug-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: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)