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	hartrees
Energy at 0K	-187.651124
Energy at 298.15K	-187.655142
HF Energy	-186.945259
Nuclear repulsion energy	102.035351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3710	3464	22.73
2	A	3620	3380	3.09
3	A	2454	2291	0.08
4	A	1687	1575	15.39
5	A	1236	1154	0.14
6	A	832	777	10.71
7	A	681	636	122.03
8	A	397	371	0.32
9	A	348	325	34.87
10	A	198	185	16.50
11	B	3710	3464	21.08
12	B	3621	3381	15.92
13	B	1687	1575	39.55
14	B	1362	1272	97.23
15	B	1235	1153	0.42
16	B	737	688	343.81
17	B	375	351	16.78
18	B	189	176	18.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.600	0.056
C2	-0.005	-0.600	0.056
N3	-0.005	1.953	-0.087
N4	0.005	-1.953	-0.087
H5	-0.332	2.453	0.722
H6	0.851	2.338	-0.447
H7	0.332	-2.453	0.722
H8	-0.851	-2.338	-0.447

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2001	1.3601	2.5566	1.9976	1.9975	3.1418	3.1017
C2	1.2001		2.5566	1.3601	3.1418	3.1017	1.9976	1.9975
N3	1.3601	2.5566		3.9052	1.0055	1.0057	4.4917	4.3884
N4	2.5566	1.3601	3.9052		4.4917	4.3884	1.0055	1.0057
H5	1.9976	3.1418	1.0055	4.4917		1.6669	4.9504	4.9591
H6	1.9975	3.1017	1.0057	4.3884	1.6669		4.9591	4.9768
H7	3.1418	1.9976	4.4917	1.0055	4.9504	4.9591		1.6669
H8	3.1017	1.9975	4.3884	1.0057	4.9591	4.9768	1.6669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	173.909	C1	N3	H5	114.390
C1	N3	H6	114.368	C2	C1	N3	173.909
C2	N4	H7	114.390	C2	N4	H8	114.368
H5	N3	H6	111.959	H7	N4	H8	111.959

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: MP3=FULL/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=FULL/TZVP

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)