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	hartrees
Energy at 0K	-187.927224
Energy at 298.15K
HF Energy	-187.698895
Nuclear repulsion energy	101.890935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3642	3642	17.30
2	A	3555	3555	2.48
3	A	2367	2367	0.22
4	A	1665	1665	11.48
5	A	1214	1214	0.01
6	A	821	821	4.24
7	A	598	598	137.86
8	A	414	414	2.73
9	A	391	391	26.41
10	A	200	200	20.93
11	B	3642	3642	16.55
12	B	3558	3558	6.71
13	B	1665	1665	28.38
14	B	1372	1372	101.35
15	B	1214	1214	0.03
16	B	654	654	342.95
17	B	414	414	17.22
18	B	200	200	22.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	0.605	0.052
C2	-0.003	-0.605	0.052
N3	-0.003	1.956	-0.083
N4	0.003	-1.956	-0.083
H5	-0.335	2.464	0.724
H6	0.851	2.351	-0.451
H7	0.335	-2.464	0.724
H8	-0.851	-2.351	-0.451

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2100	1.3578	2.5646	2.0048	2.0049	3.1588	3.1173
C2	1.2100		2.5646	1.3578	3.1588	3.1173	2.0048	2.0049
N3	1.3578	2.5646		3.9120	1.0095	1.0097	4.5053	4.4048
N4	2.5646	1.3578	3.9120		4.5053	4.4048	1.0095	1.0097
H5	2.0048	3.1588	1.0095	4.5053		1.6729	4.9723	4.9824
H6	2.0049	3.1173	1.0097	4.4048	1.6729		4.9824	4.9998
H7	3.1588	2.0048	4.5053	1.0095	4.9723	4.9824		1.6729
H8	3.1173	2.0049	4.4048	1.0097	4.9824	4.9998	1.6729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.265	C1	N3	H5	114.958
C1	N3	H6	114.950	C2	C1	N3	174.265
C2	N4	H7	114.958	C2	N4	H8	114.950
H5	N3	H6	111.880	H7	N4	H8	111.880

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: B2PLYP=FULLultrafine/6-311G**

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: B2PLYP=FULLultrafine/6-311G**

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)