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	hartrees
Energy at 0K	-187.455516
Energy at 298.15K	-187.459468
HF Energy	-186.867776
Nuclear repulsion energy	101.271538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3651	3440	19.95
2	A	3551	3346	3.66
3	A	2410	2270	0.13
4	A	1708	1609	16.42
5	A	1239	1168	0.16
6	A	830	782	16.60
7	A	695	655	119.50
8	A	375	353	0.00
9	A	327	308	44.09
10	A	206	194	11.73
11	B	3651	3440	18.51
12	B	3553	3348	14.30
13	B	1707	1609	34.07
14	B	1377	1297	72.97
15	B	1239	1167	0.23
16	B	749	706	414.15
17	B	350	329	16.59
18	B	199	187	13.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.609	0.038
C2	-0.006	-0.609	0.038
N3	-0.006	1.969	-0.078
N4	0.006	-1.969	-0.078
H5	-0.324	2.459	0.750
H6	0.854	2.369	-0.433
H7	0.324	-2.459	0.750
H8	-0.854	-2.369	-0.433

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2188	1.3642	2.5805	2.0089	2.0089	3.1654	3.1355
C2	1.2188		2.5805	1.3642	3.1654	3.1355	2.0089	2.0089
N3	1.3642	2.5805		3.9371	1.0133	1.0135	4.5160	4.4335
N4	2.5805	1.3642	3.9371		4.5160	4.4335	1.0133	1.0135
H5	2.0089	3.1654	1.0133	4.5160		1.6724	4.9597	4.9982
H6	2.0089	3.1355	1.0135	4.4335	1.6724		4.9982	5.0360
H7	3.1654	2.0089	4.5160	1.0133	4.9597	4.9982		1.6724
H8	3.1355	2.0089	4.4335	1.0135	4.9982	5.0360	1.6724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.985	C1	N3	H5	114.537
C1	N3	H6	114.520	C2	C1	N3	174.985
C2	N4	H7	114.537	C2	N4	H8	114.520
H5	N3	H6	111.209	H7	N4	H8	111.209

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: MP2=FULL/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)