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	hartrees
Energy at 0K	-187.579352
Energy at 298.15K	-187.583358
HF Energy	-186.945037
Nuclear repulsion energy	101.966423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3709	3468	22.32
2	A	3619	3384	3.08
3	A	2450	2292	0.04
4	A	1687	1578	15.61
5	A	1237	1157	0.17
6	A	832	778	11.80
7	A	687	643	117.88
8	A	399	373	0.44
9	A	345	323	35.22
10	A	197	184	16.15
11	B	3709	3468	20.57
12	B	3620	3386	15.48
13	B	1687	1578	38.88
14	B	1359	1271	95.18
15	B	1236	1156	0.59
16	B	743	695	342.98
17	B	369	345	16.96
18	B	183	171	17.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.601	0.056
C2	-0.006	-0.601	0.056
N3	-0.006	1.954	-0.087
N4	0.006	-1.954	-0.087
H5	-0.332	2.454	0.723
H6	0.851	2.340	-0.447
H7	0.332	-2.454	0.723
H8	-0.851	-2.340	-0.447

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2011	1.3609	2.5584	1.9981	1.9980	3.1430	3.1035
C2	1.2011		2.5584	1.3609	3.1430	3.1035	1.9981	1.9980
N3	1.3609	2.5584		3.9078	1.0058	1.0059	4.4939	4.3909
N4	2.5584	1.3609	3.9078		4.4939	4.3909	1.0058	1.0059
H5	1.9981	3.1430	1.0058	4.4939		1.6672	4.9518	4.9613
H6	1.9980	3.1035	1.0059	4.3909	1.6672		4.9613	4.9793
H7	3.1430	1.9981	4.4939	1.0058	4.9518	4.9613		1.6672
H8	3.1035	1.9980	4.3909	1.0059	4.9613	4.9793	1.6672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	173.895	C1	N3	H5	114.351
C1	N3	H6	114.332	C2	C1	N3	173.895
C2	N4	H7	114.351	C2	N4	H8	114.332
H5	N3	H6	111.943	H7	N4	H8	111.943

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)