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	hartrees
Energy at 0K	-187.760628
Energy at 298.15K	-187.764646
HF Energy	-186.954507
Nuclear repulsion energy	102.150361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3675	3496	38.98
2	A	3584	3410	1.44
3	A	2391	2275	0.28
4	A	1660	1580	9.13
5	A	1202	1144	0.28
6	A	822	782	3.89
7	A	593	564	112.91
8	A	406	386	7.09
9	A	352	335	21.12
10	A	213	202	19.99
11	B	3675	3496	37.82
12	B	3586	3411	20.39
13	B	1661	1580	31.46
14	B	1375	1308	124.52
15	B	1202	1143	0.31
16	B	640	608	271.71
17	B	402	383	15.68
18	B	211	201	21.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	0.604	0.058
C2	-0.001	-0.604	0.058
N3	-0.001	1.950	-0.087
N4	0.001	-1.950	-0.087
H5	-0.327	2.458	0.717
H6	0.854	2.334	-0.452
H7	0.327	-2.458	0.717
H8	-0.854	-2.334	-0.452

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2087	1.3533	2.5584	1.9944	1.9943	3.1492	3.1022
C2	1.2087		2.5584	1.3533	3.1492	3.1022	1.9944	1.9943
N3	1.3533	2.5584		3.8997	1.0057	1.0058	4.4925	4.3828
N4	2.5584	1.3533	3.8997		4.4925	4.3828	1.0057	1.0058
H5	1.9944	3.1492	1.0057	4.4925		1.6660	4.9588	4.9601
H6	1.9943	3.1022	1.0058	4.3828	1.6660		4.9601	4.9702
H7	3.1492	1.9944	4.4925	1.0057	4.9588	4.9601		1.6660
H8	3.1022	1.9943	4.3828	1.0058	4.9601	4.9702	1.6660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	173.833	C1	N3	H5	114.637
C1	N3	H6	114.617	C2	C1	N3	173.833
C2	N4	H7	114.637	C2	N4	H8	114.617
H5	N3	H6	111.833	H7	N4	H8	111.833

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)