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	hartrees
Energy at 0K	-187.539695
Energy at 298.15K	-187.543763
HF Energy	-186.914982
Nuclear repulsion energy	101.447682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3658	3502	10.89
2	A	3570	3418	2.08
3	A	2384	2283	0.07
4	A	1736	1662	18.27
5	A	1259	1205	0.01
6	A	823	788	21.19
7	A	700	670	117.72
8	A	396	379	0.20
9	A	356	341	38.52
10	A	199	191	16.90
11	B	3658	3502	10.30
12	B	3572	3420	4.75
13	B	1736	1662	38.69
14	B	1355	1298	74.29
15	B	1258	1205	0.01
16	B	763	730	400.64
17	B	392	376	16.62
18	B	199	191	19.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	0.606	0.052
C2	-0.004	-0.606	0.052
N3	-0.004	1.965	-0.085
N4	0.004	-1.965	-0.085
H5	-0.325	2.463	0.731
H6	0.857	2.351	-0.444
H7	0.325	-2.463	0.731
H8	-0.857	-2.351	-0.444

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2124	1.3653	2.5744	2.0043	2.0043	3.1599	3.1191
C2	1.2124		2.5744	1.3653	3.1599	3.1191	2.0043	2.0043
N3	1.3653	2.5744		3.9291	1.0091	1.0093	4.5142	4.4133
N4	2.5744	1.3653	3.9291		4.5142	4.4133	1.0091	1.0093
H5	2.0043	3.1599	1.0091	4.5142		1.6705	4.9688	4.9834
H6	2.0043	3.1191	1.0093	4.4133	1.6705		4.9834	5.0040
H7	3.1599	2.0043	4.5142	1.0091	4.9688	4.9834		1.6705
H8	3.1191	2.0043	4.4133	1.0093	4.9834	5.0040	1.6705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.192	C1	N3	H5	114.321
C1	N3	H6	114.305	C2	C1	N3	174.192
C2	N4	H7	114.321	C2	N4	H8	114.305
H5	N3	H6	111.710	H7	N4	H8	111.710

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

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

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)