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	hartrees
Energy at 0K	-187.589783
Energy at 298.15K	-187.593861
HF Energy	-186.914886
Nuclear repulsion energy	101.613747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3690	3495	19.13
2	A	3592	3402	3.07
3	A	2390	2264	0.25
4	A	1729	1637	18.45
5	A	1250	1184	0.11
6	A	823	780	16.07
7	A	690	653	132.38
8	A	395	374	0.29
9	A	350	332	38.36
10	A	209	198	17.34
11	B	3691	3495	18.13
12	B	3595	3404	11.24
13	B	1729	1637	42.75
14	B	1376	1303	86.35
15	B	1249	1183	0.13
16	B	745	706	406.53
17	B	392	371	14.94
18	B	209	198	20.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	0.608	0.059
C2	-0.003	-0.608	0.059
N3	-0.003	1.960	-0.089
N4	0.003	-1.960	-0.089
H5	-0.325	2.466	0.721
H6	0.857	2.342	-0.452
H7	0.325	-2.466	0.721
H8	-0.857	-2.342	-0.452

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2154	1.3604	2.5719	1.9993	1.9994	3.1602	3.1146
C2	1.2154		2.5719	1.3604	3.1602	3.1146	1.9993	1.9994
N3	1.3604	2.5719		3.9198	1.0081	1.0083	4.5110	4.4006
N4	2.5719	1.3604	3.9198		4.5110	4.4006	1.0081	1.0083
H5	1.9993	3.1602	1.0081	4.5110		1.6698	4.9738	4.9771
H6	1.9994	3.1146	1.0083	4.4006	1.6698		4.9771	4.9872
H7	3.1602	1.9993	4.5110	1.0081	4.9738	4.9771		1.6698
H8	3.1146	1.9994	4.4006	1.0083	4.9771	4.9872	1.6698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	173.696	C1	N3	H5	114.337
C1	N3	H6	114.338	C2	C1	N3	173.696
C2	N4	H7	114.337	C2	N4	H8	114.338
H5	N3	H6	111.812	H7	N4	H8	111.812

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: MP2=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: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)