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	hartrees
Energy at 0K	-187.726587
Energy at 298.15K	-187.730586
HF Energy	-186.949737
Nuclear repulsion energy	101.488756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3627	3441
2	A	3539	3357
3	A	2355	2234
4	A	1657	1572
5	A	1220	1157
6	A	811	769
7	A	662	628
8	A	389	369
9	A	333	316
10	A	198	188
11	B	3627	3441
12	B	3540	3358
13	B	1657	1572
14	B	1337	1268
15	B	1220	1157
16	B	720	683
17	B	389	369
18	B	198	188

Atom	x (Å)	y (Å)	z (Å)
C1	0.013	0.606	0.001
C2	-0.013	-0.606	0.001
N3	-0.013	1.973	-0.062
N4	0.013	-1.973	-0.062
H5	-0.302	2.404	0.804
H6	0.861	2.370	-0.375
H7	0.302	-2.404	0.804
H8	-0.861	-2.370	-0.375

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2119	1.3690	2.5796	1.9946	1.9929	3.1284	3.1241
C2	1.2119		2.5796	1.3690	3.1284	3.1241	1.9946	1.9929
N3	1.3690	2.5796		3.9462	1.0098	1.0100	4.4730	4.4359
N4	2.5796	1.3690	3.9462		4.4730	4.4359	1.0098	1.0100
H5	1.9946	3.1284	1.0098	4.4730		1.6567	4.8454	4.9488
H6	1.9929	3.1241	1.0100	4.4359	1.6567		4.9488	5.0429
H7	3.1284	1.9946	4.4730	1.0098	4.8454	4.9488		1.6567
H8	3.1241	1.9929	4.4359	1.0100	4.9488	5.0429	1.6567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	176.438	C1	N3	H5	113.092
C1	N3	H6	112.925	C2	C1	N3	176.438
C2	N4	H7	113.092	C2	N4	H8	112.925
H5	N3	H6	110.216	H7	N4	H8	110.216

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: QCISD(T)/cc-pVTZ

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(T)/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)