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	hartrees
Energy at 0K	-187.548641
Energy at 298.15K	-187.552494
HF Energy	-186.906248
Nuclear repulsion energy	100.736961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3635	3502	21.90
2	A	3541	3411	0.78
3	A	2375	2288	0.05
4	A	1655	1594	10.15
5	A	1216	1172	0.91
6	A	809	780	8.72
7	A	641	617	92.46
8	A	361	347	1.21
9	A	333	321	32.18
10	A	176	170	14.28
11	B	3634	3501	21.23
12	B	3542	3413	8.51
13	B	1655	1595	24.88
14	B	1335	1286	94.36
15	B	1216	1171	0.87
16	B	698	672	270.55
17	B	358	345	16.10
18	B	178	172	16.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.613	0.033
C2	-0.006	-0.613	0.033
N3	-0.006	1.982	-0.074
N4	0.006	-1.982	-0.074
H5	-0.333	2.472	0.752
H6	0.850	2.390	-0.437
H7	0.333	-2.472	0.752
H8	-0.850	-2.390	-0.437

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2259	1.3731	2.5969	2.0221	2.0225	3.1848	3.1574
C2	1.2259		2.5969	1.3731	3.1848	3.1574	2.0221	2.0225
N3	1.3731	2.5969		3.9636	1.0148	1.0149	4.5427	4.4671
N4	2.5969	1.3731	3.9636		4.5427	4.4671	1.0148	1.0149
H5	2.0221	3.1848	1.0148	4.5427		1.6789	4.9894	5.0320
H6	2.0225	3.1574	1.0149	4.4671	1.6789		5.0320	5.0728
H7	3.1848	2.0221	4.5427	1.0148	4.9894	5.0320		1.6789
H8	3.1574	2.0225	4.4671	1.0149	5.0320	5.0728	1.6789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	175.412	C1	N3	H5	114.913
C1	N3	H6	114.934	C2	C1	N3	175.412
C2	N4	H7	114.913	C2	N4	H8	114.934
H5	N3	H6	111.623	H7	N4	H8	111.623

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: CCSD/aug-cc-pVDZ

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: CCSD/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)