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	hartrees
Energy at 0K	-187.532385
Energy at 298.15K	-187.536514
HF Energy	-186.915464
Nuclear repulsion energy	101.571592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3671	3506	12.22
2	A	3583	3422	2.41
3	A	2425	2316	0.10
4	A	1739	1661	18.82
5	A	1264	1207	0.00
6	A	829	792	23.19
7	A	708	677	115.53
8	A	407	389	0.58
9	A	346	330	39.02
10	A	214	204	16.71
11	B	3671	3506	11.58
12	B	3584	3423	6.02
13	B	1739	1661	42.66
14	B	1358	1297	78.19
15	B	1263	1206	0.02
16	B	770	735	404.10
17	B	404	386	16.43
18	B	214	204	19.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	0.604	0.054
C2	-0.003	-0.604	0.054
N3	-0.003	1.962	-0.087
N4	0.003	-1.962	-0.087
H5	-0.324	2.461	0.729
H6	0.858	2.345	-0.444
H7	0.324	-2.461	0.729
H8	-0.858	-2.345	-0.444

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2086	1.3647	2.5699	2.0025	2.0025	3.1551	3.1130
C2	1.2086		2.5699	1.3647	3.1551	3.1130	2.0025	2.0025
N3	1.3647	2.5699		3.9234	1.0085	1.0087	4.5092	4.4055
N4	2.5699	1.3647	3.9234		4.5092	4.4055	1.0085	1.0087
H5	2.0025	3.1551	1.0085	4.5092		1.6692	4.9645	4.9762
H6	2.0025	3.1130	1.0087	4.4055	1.6692		4.9762	4.9948
H7	3.1551	2.0025	4.5092	1.0085	4.9645	4.9762		1.6692
H8	3.1130	2.0025	4.4055	1.0087	4.9762	4.9948	1.6692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.053	C1	N3	H5	114.253
C1	N3	H6	114.238	C2	C1	N3	174.053
C2	N4	H7	114.253	C2	N4	H8	114.238
H5	N3	H6	111.692	H7	N4	H8	111.692

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: CCD/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: CCD/6-311G*

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)