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	hartrees
Energy at 0K	-189.213842
Energy at 298.15K
HF Energy	-189.213842
Nuclear repulsion energy	116.749401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3522	3522	0.89
2	A	3419	3419	0.23
3	A	3092	3092	0.08
4	A	1703	1703	0.48
5	A	1595	1595	16.42
6	A	1299	1299	0.52
7	A	1249	1249	0.01
8	A	1011	1011	0.26
9	A	891	891	70.50
10	A	776	776	109.80
11	A	542	542	1.24
12	A	322	322	2.31
13	A	239	239	16.07
14	B	3521	3521	2.37
15	B	3417	3417	1.70
16	B	3096	3096	57.05
17	B	1602	1602	41.09
18	B	1356	1356	10.39
19	B	1147	1147	113.94
20	B	1101	1101	2.03
21	B	768	768	93.46
22	B	721	721	271.02
23	B	345	345	35.65
24	B	251	251	85.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.597	0.045
C2	-0.315	-0.597	0.045
N3	-0.315	1.860	-0.118
N4	0.315	-1.860	-0.118
H5	1.412	0.645	0.046
H6	-1.412	-0.645	0.046
H7	-1.331	1.796	-0.050
H8	1.331	-1.796	-0.050
H9	0.013	2.549	0.559
H10	-0.013	-2.549	0.559

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3510	1.4208	2.4627	1.0976	2.1277	2.0386	2.6016	2.0411	3.2052
C2	1.3510		2.4627	1.4208	2.1277	1.0976	2.6016	2.0386	3.2052	2.0411
N3	1.4208	2.4627		3.7732	2.1182	2.7394	1.0197	4.0102	1.0201	4.4711
N4	2.4627	1.4208	3.7732		2.7394	2.1182	4.0102	1.0197	4.4711	1.0201
H5	1.0976	2.1277	2.1182	2.7394		3.1046	2.9761	2.4442	2.4180	3.5351
H6	2.1277	1.0976	2.7394	2.1182	3.1046		2.4442	2.9761	3.5351	2.4180
H7	2.0386	2.6016	1.0197	4.0102	2.9761	2.4442		4.4707	1.6564	4.5813
H8	2.6016	2.0386	4.0102	1.0197	2.4442	2.9761	4.4707		4.5813	1.6564
H9	2.0411	3.2052	1.0201	4.4711	2.4180	3.5351	1.6564	4.5813		5.0985
H10	3.2052	2.0411	4.4711	1.0201	3.5351	2.4180	4.5813	1.6564	5.0985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.354	C1	C2	H6	120.322
C1	N3	H7	112.252	C1	N3	H9	112.444
C2	C1	N3	125.354	C2	C1	H5	120.322
C2	N4	H8	112.252	C2	N4	H10	112.444
N3	C1	H5	113.896	N4	C2	H6	113.896
H7	N3	H9	108.584	H8	N4	H10	108.584

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B97D3/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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Number	Element	Mulliken
1	C	0.871
2	C	0.871
3	N	-0.207
4	N	-0.207
5	H	-0.568
6	H	-0.568
7	H	-0.050
8	H	-0.050
9	H	-0.047
10	H	-0.047

	x	y	z	Total
	0.000	0.000	1.952	1.952
CHELPG
AIM
ESP

	x	y	z
x	6.599	-0.082	0.000
y	-0.082	10.776	0.000
z	0.000	0.000	5.536

<r²>	99.321
(<r²>)^1/2	9.966

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)