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	hartrees
Energy at 0K	-187.504480
Energy at 298.15K	-187.508563
HF Energy	-186.892235
Nuclear repulsion energy	100.755180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3633	3475	12.45
2	A	3545	3391	2.88
3	A	2421	2316	0.03
4	A	1662	1590	12.51
5	A	1243	1189	0.50
6	A	834	798	28.61
7	A	737	705	57.05
8	A	385	368	1.50
9	A	305	292	37.08
10	A	215	206	14.19
11	B	3633	3475	11.84
12	B	3546	3393	5.82
13	B	1661	1589	19.56
14	B	1341	1283	72.69
15	B	1243	1189	0.44
16	B	810	775	324.04
17	B	387	370	16.22
18	B	216	206	16.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.612	0.040
C2	-0.005	-0.612	0.040
N3	-0.005	1.977	-0.083
N4	0.005	-1.977	-0.083
H5	-0.307	2.460	0.759
H6	0.873	2.362	-0.422
H7	0.307	-2.460	0.759
H8	-0.873	-2.362	-0.422

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2238	1.3708	2.5919	2.0074	2.0077	3.1694	3.1353
C2	1.2238		2.5919	1.3708	3.1694	3.1353	2.0074	2.0077
N3	1.3708	2.5919		3.9543	1.0163	1.0165	4.5272	4.4384
N4	2.5919	1.3708	3.9543		4.5272	4.4384	1.0163	1.0165
H5	2.0074	3.1694	1.0163	4.5272		1.6718	4.9585	4.9971
H6	2.0077	3.1353	1.0165	4.4384	1.6718		4.9971	5.0369
H7	3.1694	2.0074	4.5272	1.0163	4.9585	4.9971		1.6718
H8	3.1353	2.0077	4.4384	1.0165	4.9971	5.0369	1.6718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.775	C1	N3	H5	113.648
C1	N3	H6	113.657	C2	C1	N3	174.775
C2	N4	H7	113.648	C2	N4	H8	113.657
H5	N3	H6	110.656	H7	N4	H8	110.656

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)