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	hartrees
Energy at 0K	-187.523467
Energy at 298.15K	-187.527254
HF Energy	-186.905354
Nuclear repulsion energy	100.724835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3643	3494	30.79
2	A	3539	3394	1.13
3	A	2357	2261	0.17
4	A	1635	1568	9.97
5	A	1201	1152	0.47
6	A	807	774	7.51
7	A	629	603	96.94
8	A	343	329	0.41
9	A	321	308	34.01
10	A	178	171	13.50
11	B	3643	3494	29.77
12	B	3541	3396	13.86
13	B	1636	1569	26.28
14	B	1349	1294	105.50
15	B	1200	1151	0.48
16	B	680	652	270.13
17	B	338	324	14.94
18	B	180	172	16.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.616	0.038
C2	-0.006	-0.616	0.038
N3	-0.006	1.980	-0.076
N4	0.006	-1.980	-0.076
H5	-0.333	2.476	0.748
H6	0.850	2.387	-0.441
H7	0.333	-2.476	0.748
H8	-0.850	-2.387	-0.441

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2319	1.3694	2.5989	2.0191	2.0196	3.1887	3.1590
C2	1.2319		2.5989	1.3694	3.1887	3.1590	2.0191	2.0196
N3	1.3694	2.5989		3.9610	1.0150	1.0151	4.5441	4.4634
N4	2.5989	1.3694	3.9610		4.5441	4.4634	1.0150	1.0151
H5	2.0191	3.1887	1.0150	4.5441		1.6788	4.9955	5.0324
H6	2.0196	3.1590	1.0151	4.4634	1.6788		5.0324	5.0678
H7	3.1887	2.0191	4.5441	1.0150	4.9955	5.0324		1.6788
H8	3.1590	2.0196	4.4634	1.0151	5.0324	5.0678	1.6788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	175.134	C1	N3	H5	114.922
C1	N3	H6	114.960	C2	C1	N3	175.134
C2	N4	H7	114.922	C2	N4	H8	114.960
H5	N3	H6	111.577	H7	N4	H8	111.577

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)