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	hartrees
Energy at 0K	-187.753476
Energy at 298.15K	-187.757681
HF Energy	-186.951829
Nuclear repulsion energy	102.266475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3687	3496	24.30
2	A	3602	3415	2.26
3	A	2433	2307	0.09
4	A	1690	1603	10.46
5	A	1234	1170	0.31
6	A	832	789	6.29
7	A	633	600	107.86
8	A	450	426	5.21
9	A	360	341	25.24
10	A	227	215	19.16
11	B	3687	3496	23.49
12	B	3603	3416	15.73
13	B	1690	1602	29.38
14	B	1375	1304	100.22
15	B	1234	1170	0.33
16	B	684	649	312.44
17	B	450	426	20.82
18	B	226	215	21.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.600	0.062
C2	-0.001	-0.600	0.062
N3	-0.001	1.947	-0.091
N4	0.001	-1.947	-0.091
H5	-0.325	2.455	0.712
H6	0.857	2.326	-0.447
H7	0.325	-2.455	0.712
H8	-0.857	-2.326	-0.447

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2008	1.3555	2.5522	1.9921	1.9924	3.1405	3.0921
C2	1.2008		2.5522	1.3555	3.1405	3.0921	1.9921	1.9924
N3	1.3555	2.5522		3.8944	1.0036	1.0038	4.4868	4.3727
N4	2.5522	1.3555	3.8944		4.4868	4.3727	1.0036	1.0038
H5	1.9921	3.1405	1.0036	4.4868		1.6603	4.9531	4.9483
H6	1.9924	3.0921	1.0038	4.3727	1.6603		4.9483	4.9582
H7	3.1405	1.9921	4.4868	1.0036	4.9531	4.9483		1.6603
H8	3.0921	1.9924	4.3727	1.0038	4.9483	4.9582	1.6603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	173.506	C1	N3	H5	114.402
C1	N3	H6	114.417	C2	C1	N3	173.506
C2	N4	H7	114.402	C2	N4	H8	114.417
H5	N3	H6	111.604	H7	N4	H8	111.604

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

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

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)