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	hartrees
Energy at 0K	-187.574487
Energy at 298.15K	-187.578183
HF Energy	-186.904637
Nuclear repulsion energy	100.417673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3600	3465
2	A	3505	3374
3	A	2327	2240
4	A	1639	1577
5	A	1204	1158
6	A	798	768
7	A	640	616
8	A	338	325
9	A	323	310
10	A	151	145
11	B	3599	3465
12	B	3507	3375
13	B	1638	1577
14	B	1319	1269
15	B	1203	1158
16	B	700	674
17	B	329	317
18	B	152	146

Atom	x (Å)	y (Å)	z (Å)
C1	0.044	0.614	-0.005
C2	-0.044	-0.614	-0.005
N3	0.044	1.994	-0.059
N4	-0.044	-1.994	-0.059
H5	-0.238	2.430	0.817
H6	0.933	2.381	-0.374
H7	0.238	-2.430	0.817
H8	-0.933	-2.381	-0.374

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2308	1.3808	2.6094	2.0133	2.0119	3.1586	3.1715
C2	1.2308		2.6094	1.3808	3.1586	3.1715	2.0133	2.0119
N3	1.3808	2.6094		3.9881	1.0189	1.0190	4.5135	4.4932
N4	2.6094	1.3808	3.9881		4.5135	4.4932	1.0189	1.0190
H5	2.0133	3.1586	1.0189	4.5135		1.6709	4.8827	5.0043
H6	2.0119	3.1715	1.0190	4.4932	1.6709		5.0043	5.1140
H7	3.1586	2.0133	4.5135	1.0189	4.8827	5.0043		1.6709
H8	3.1715	2.0119	4.4932	1.0190	5.0043	5.1140	1.6709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	175.300	C1	N3	H5	113.198
C1	N3	H6	113.074	C2	C1	N3	175.300
C2	N4	H7	113.198	C2	N4	H8	113.074
H5	N3	H6	110.149	H7	N4	H8	110.149

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

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

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)