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	hartrees
Energy at 0K	-187.581543
Energy at 298.15K	-187.585535
HF Energy	-186.944726
Nuclear repulsion energy	101.826389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3683	3491	20.23
2	A	3591	3404	2.73
3	A	2435	2309	0.09
4	A	1684	1597	15.67
5	A	1236	1171	0.14
6	A	827	784	15.11
7	A	690	655	112.27
8	A	392	371	0.47
9	A	336	319	36.08
10	A	198	187	15.30
11	B	3683	3491	18.70
12	B	3592	3405	12.50
13	B	1684	1596	37.40
14	B	1352	1281	89.52
15	B	1234	1170	0.43
16	B	748	709	340.72
17	B	365	346	16.75
18	B	186	177	16.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.601	0.053
C2	-0.006	-0.601	0.053
N3	-0.006	1.957	-0.086
N4	0.006	-1.957	-0.086
H5	-0.330	2.455	0.728
H6	0.852	2.345	-0.445
H7	0.330	-2.455	0.728
H8	-0.852	-2.345	-0.445

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2029	1.3622	2.5617	2.0008	2.0007	3.1466	3.1085
C2	1.2029		2.5617	1.3622	3.1466	3.1085	2.0008	2.0007
N3	1.3622	2.5617		3.9131	1.0073	1.0074	4.4982	4.3985
N4	2.5617	1.3622	3.9131		4.4982	4.3985	1.0073	1.0074
H5	2.0008	3.1466	1.0073	4.4982		1.6683	4.9537	4.9681
H6	2.0007	3.1085	1.0074	4.3985	1.6683		4.9681	4.9894
H7	3.1466	2.0008	4.4982	1.0073	4.9537	4.9681		1.6683
H8	3.1085	2.0007	4.3985	1.0074	4.9681	4.9894	1.6683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.094	C1	N3	H5	114.381
C1	N3	H6	114.363	C2	C1	N3	174.094
C2	N4	H7	114.381	C2	N4	H8	114.363
H5	N3	H6	111.803	H7	N4	H8	111.803

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: CCD/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: CCD/TZVP

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)