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	hartrees
Energy at 0K	-187.751341
Energy at 298.15K	-187.755573
HF Energy	-186.952186
Nuclear repulsion energy	102.424126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3718	3467	27.72
2	A	3633	3388	2.70
3	A	2468	2302	0.10
4	A	1694	1580	10.51
5	A	1236	1152	0.27
6	A	839	782	5.26
7	A	626	584	111.51
8	A	458	427	5.74
9	A	362	337	25.17
10	A	233	217	19.74
11	B	3718	3467	26.96
12	B	3634	3389	21.18
13	B	1693	1579	33.27
14	B	1382	1289	109.88
15	B	1235	1152	0.28
16	B	675	630	315.17
17	B	458	427	21.54
18	B	232	217	21.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.599	0.065
C2	-0.001	-0.599	0.065
N3	-0.001	1.944	-0.093
N4	0.001	-1.944	-0.093
H5	-0.326	2.453	0.706
H6	0.856	2.320	-0.449
H7	0.326	-2.453	0.706
H8	-0.856	-2.320	-0.449

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.1973	1.3544	2.5474	1.9896	1.9899	3.1356	3.0856
C2	1.1973		2.5474	1.3544	3.1356	3.0856	1.9896	1.9899
N3	1.3544	2.5474		3.8877	1.0019	1.0021	4.4812	4.3638
N4	2.5474	1.3544	3.8877		4.4812	4.3638	1.0019	1.0021
H5	1.9896	3.1356	1.0019	4.4812		1.6586	4.9499	4.9401
H6	1.9899	3.0856	1.0021	4.3638	1.6586		4.9401	4.9469
H7	3.1356	1.9896	4.4812	1.0019	4.9499	4.9401		1.6586
H8	3.0856	1.9899	4.3638	1.0021	4.9401	4.9469	1.6586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	173.309	C1	N3	H5	114.380
C1	N3	H6	114.393	C2	C1	N3	173.309
C2	N4	H7	114.380	C2	N4	H8	114.393
H5	N3	H6	111.720	H7	N4	H8	111.720

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)