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	hartrees
Energy at 0K	-187.614714
Energy at 298.15K	-187.618609
HF Energy	-186.942766
Nuclear repulsion energy	101.403222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3636	3502
2	A	3543	3413
3	A	2352	2265
4	A	1665	1603
5	A	1220	1175
6	A	814	784
7	A	692	666
8	A	389	375
9	A	337	324
10	A	182	176
11	B	3636	3502
12	B	3545	3415
13	B	1663	1602
14	B	1332	1283
15	B	1218	1173
16	B	751	724
17	B	347	334
18	B	158	152

Atom	x (Å)	y (Å)	z (Å)
C1	0.075	0.602	-0.015
C2	-0.075	-0.602	-0.015
N3	0.075	1.971	-0.051
N4	-0.075	-1.971	-0.051
H5	-0.203	2.395	0.824
H6	0.950	2.360	-0.377
H7	0.203	-2.395	0.824
H8	-0.950	-2.360	-0.377

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2126	1.3704	2.5777	2.0001	1.9974	3.1150	3.1554
C2	1.2126		2.5777	1.3704	3.1150	3.1554	2.0001	1.9974
N3	1.3704	2.5777		3.9458	1.0115	1.0115	4.4555	4.4636
N4	2.5777	1.3704	3.9458		4.4555	4.4636	1.0115	1.0115
H5	2.0001	3.1150	1.0115	4.4555		1.6654	4.8079	4.9618
H6	1.9974	3.1554	1.0115	4.4636	1.6654		4.9618	5.0892
H7	3.1150	2.0001	4.4555	1.0115	4.8079	4.9618		1.6654
H8	3.1554	1.9974	4.4636	1.0115	4.9618	5.0892	1.6654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	172.704	C1	N3	H5	113.360
C1	N3	H6	113.126	C2	C1	N3	172.704
C2	N4	H7	113.360	C2	N4	H8	113.126
H5	N3	H6	110.816	H7	N4	H8	110.816

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: QCISD(T)/TZVP

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)/TZVP

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)