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	hartrees
Energy at 0K	-187.830003
Energy at 298.15K	-187.833957
HF Energy	-187.635303
Nuclear repulsion energy	101.551205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3625	3438	13.19
2	A	3535	3353	2.71
3	A	2383	2260	0.17
4	A	1702	1615	12.93
5	A	1230	1167	0.13
6	A	829	786	6.19
7	A	632	600	144.55
8	A	391	371	3.65
9	A	379	360	30.56
10	A	189	179	16.07
11	B	3625	3438	12.56
12	B	3538	3356	5.44
13	B	1702	1614	24.88
14	B	1380	1309	84.57
15	B	1230	1167	0.13
16	B	689	653	394.88
17	B	379	360	16.44
18	B	187	178	17.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.608	0.035
C2	-0.006	-0.608	0.035
N3	-0.006	1.965	-0.075
N4	0.006	-1.965	-0.075
H5	-0.332	2.459	0.746
H6	0.848	2.372	-0.436
H7	0.332	-2.459	0.746
H8	-0.848	-2.372	-0.436

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2161	1.3615	2.5754	2.0113	2.0112	3.1651	3.1360
C2	1.2161		2.5754	1.3615	3.1651	3.1360	2.0113	2.0112
N3	1.3615	2.5754		3.9300	1.0125	1.0127	4.5121	4.4332
N4	2.5754	1.3615	3.9300		4.5121	4.4332	1.0125	1.0127
H5	2.0113	3.1651	1.0125	4.5121		1.6729	4.9624	5.0005
H6	2.0112	3.1360	1.0127	4.4332	1.6729		5.0005	5.0390
H7	3.1651	2.0113	4.5121	1.0125	4.9624	5.0005		1.6729
H8	3.1360	2.0112	4.4332	1.0127	5.0005	5.0390	1.6729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	175.241	C1	N3	H5	115.035
C1	N3	H6	115.011	C2	C1	N3	175.241
C2	N4	H7	115.035	C2	N4	H8	115.011
H5	N3	H6	111.401	H7	N4	H8	111.401

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: B2PLYP=FULL/6-31G*

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: B2PLYP=FULL/6-31G*

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)