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	hartrees
Energy at 0K	-187.606853
Energy at 298.15K	-187.611027
HF Energy	-186.916098
Nuclear repulsion energy	101.810335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3708	3708	15.24
2	A	3621	3621	2.97
3	A	2445	2445	0.11
4	A	1745	1745	18.42
5	A	1266	1266	0.00
6	A	834	834	14.91
7	A	696	696	132.80
8	A	421	421	0.72
9	A	361	361	37.04
10	A	217	217	18.44
11	B	3708	3708	14.54
12	B	3622	3622	9.19
13	B	1745	1745	45.63
14	B	1372	1372	87.01
15	B	1265	1265	0.01
16	B	753	753	407.81
17	B	419	419	16.98
18	B	217	217	21.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	0.603	0.057
C2	-0.003	-0.603	0.057
N3	-0.003	1.957	-0.088
N4	0.003	-1.957	-0.088
H5	-0.326	2.459	0.722
H6	0.856	2.339	-0.448
H7	0.326	-2.459	0.722
H8	-0.856	-2.339	-0.448

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2061	1.3621	2.5645	1.9989	1.9989	3.1503	3.1059
C2	1.2061		2.5645	1.3621	3.1503	3.1059	1.9989	1.9989
N3	1.3621	2.5645		3.9148	1.0063	1.0065	4.5023	4.3947
N4	2.5645	1.3621	3.9148		4.5023	4.3947	1.0063	1.0065
H5	1.9989	3.1503	1.0063	4.5023		1.6679	4.9616	4.9667
H6	1.9989	3.1059	1.0065	4.3947	1.6679		4.9667	4.9810
H7	3.1503	1.9989	4.5023	1.0063	4.9616	4.9667		1.6679
H8	3.1059	1.9989	4.3947	1.0065	4.9667	4.9810	1.6679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	173.859	C1	N3	H5	114.293
C1	N3	H6	114.275	C2	C1	N3	173.859
C2	N4	H7	114.293	C2	N4	H8	114.275
H5	N3	H6	111.917	H7	N4	H8	111.917

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: MP3=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)