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	hartrees
Energy at 0K	-187.585308
Energy at 298.15K	-187.589034
HF Energy	-186.905039
Nuclear repulsion energy	100.520825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3605	3501
2	A	3509	3408
3	A	2332	2264
4	A	1640	1593
5	A	1203	1169
6	A	800	777
7	A	635	617
8	A	341	331
9	A	327	317
10	A	156	152
11	B	3605	3501
12	B	3511	3410
13	B	1640	1593
14	B	1324	1286
15	B	1202	1168
16	B	694	674
17	B	335	326
18	B	158	154

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	0.614	-0.003
C2	-0.040	-0.614	-0.003
N3	0.040	1.991	-0.059
N4	-0.040	-1.991	-0.059
H5	-0.245	2.430	0.814
H6	0.926	2.380	-0.377
H7	0.245	-2.430	0.814
H8	-0.926	-2.380	-0.377

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2300	1.3788	2.6069	2.0122	2.0108	3.1585	3.1673
C2	1.2300		2.6069	1.3788	3.1585	3.1673	2.0122	2.0108
N3	1.3788	2.6069		3.9835	1.0181	1.0182	4.5117	4.4876
N4	2.6069	1.3788	3.9835		4.5117	4.4876	1.0181	1.0182
H5	2.0122	3.1585	1.0181	4.5117		1.6709	4.8851	5.0016
H6	2.0108	3.1673	1.0182	4.4876	1.6709		5.0016	5.1067
H7	3.1585	2.0122	4.5117	1.0181	4.8851	5.0016		1.6709
H8	3.1673	2.0108	4.4876	1.0182	5.0016	5.1067	1.6709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	175.634	C1	N3	H5	113.318
C1	N3	H6	113.188	C2	C1	N3	175.634
C2	N4	H7	113.318	C2	N4	H8	113.188
H5	N3	H6	110.282	H7	N4	H8	110.282

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: CCSD(T)=FULL/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(T)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)