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	hartrees
Energy at 0K	-187.498366
Energy at 298.15K	-187.502336
HF Energy	-186.884453
Nuclear repulsion energy	101.395762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3717	3485	12.93
2	A	3620	3394	2.71
3	A	2450	2297	0.00
4	A	1707	1600	14.52
5	A	1245	1168	0.02
6	A	833	781	15.49
7	A	696	652	106.19
8	A	383	359	0.05
9	A	326	306	41.13
10	A	208	195	10.92
11	B	3717	3485	12.07
12	B	3622	3396	7.52
13	B	1706	1600	29.58
14	B	1362	1277	69.92
15	B	1244	1167	0.25
16	B	752	705	386.51
17	B	346	325	17.92
18	B	196	184	11.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.606	0.035
C2	-0.007	-0.606	0.035
N3	-0.007	1.969	-0.076
N4	0.007	-1.969	-0.076
H5	-0.323	2.450	0.751
H6	0.851	2.367	-0.425
H7	0.323	-2.450	0.751
H8	-0.851	-2.367	-0.425

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2121	1.3674	2.5772	2.0054	2.0055	3.1544	3.1280
C2	1.2121		2.5772	1.3674	3.1544	3.1280	2.0054	2.0055
N3	1.3674	2.5772		3.9376	1.0079	1.0081	4.5074	4.4304
N4	2.5772	1.3674	3.9376		4.5074	4.4304	1.0079	1.0081
H5	2.0054	3.1544	1.0079	4.5074		1.6640	4.9418	4.9858
H6	2.0055	3.1280	1.0081	4.4304	1.6640		4.9858	5.0297
H7	3.1544	2.0054	4.5074	1.0079	4.9418	4.9858		1.6640
H8	3.1280	2.0055	4.4304	1.0081	4.9858	5.0297	1.6640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	175.157	C1	N3	H5	114.344
C1	N3	H6	114.343	C2	C1	N3	175.157
C2	N4	H7	114.344	C2	N4	H8	114.343
H5	N3	H6	111.264	H7	N4	H8	111.264

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)