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	hartrees
Energy at 0K	-187.691955
Energy at 298.15K	-187.696082
HF Energy	-186.951008
Nuclear repulsion energy	101.836495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3665	3450	22.42
2	A	3577	3367	2.21
3	A	2406	2264	0.08
4	A	1677	1579	11.23
5	A	1235	1162	0.42
6	A	823	774	10.67
7	A	663	624	96.64
8	A	420	395	2.86
9	A	342	322	28.25
10	A	215	203	17.66
11	B	3665	3450	21.77
12	B	3579	3368	14.19
13	B	1676	1578	27.12
14	B	1353	1274	90.68
15	B	1235	1162	0.44
16	B	718	676	312.80
17	B	420	395	16.92
18	B	216	203	20.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	0.603	0.057
C2	-0.002	-0.603	0.057
N3	-0.002	1.956	-0.089
N4	0.002	-1.956	-0.089
H5	-0.321	2.458	0.722
H6	0.860	2.336	-0.441
H7	0.321	-2.458	0.722
H8	-0.860	-2.336	-0.441

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2054	1.3612	2.5628	1.9970	1.9973	3.1481	3.1031
C2	1.2054		2.5628	1.3612	3.1481	3.1031	1.9970	1.9973
N3	1.3612	2.5628		3.9120	1.0055	1.0057	4.4993	4.3913
N4	2.5628	1.3612	3.9120		4.4993	4.3913	1.0055	1.0057
H5	1.9970	3.1481	1.0055	4.4993		1.6620	4.9574	4.9625
H6	1.9973	3.1031	1.0057	4.3913	1.6620		4.9625	4.9790
H7	3.1481	1.9970	4.4993	1.0055	4.9574	4.9625		1.6620
H8	3.1031	1.9973	4.3913	1.0057	4.9625	4.9790	1.6620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	173.828	C1	N3	H5	114.245
C1	N3	H6	114.263	C2	C1	N3	173.828
C2	N4	H7	114.245	C2	N4	H8	114.263
H5	N3	H6	111.450	H7	N4	H8	111.450

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: CCSD/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: CCSD/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)