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	hartrees
Energy at 0K	-189.375649
Energy at 298.15K
HF Energy	-189.375649
Nuclear repulsion energy	117.647031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3605	3605	2.11
2	A	3515	3515	0.24
3	A	3131	3131	0.06
4	A	1744	1744	0.44
5	A	1643	1643	18.64
6	A	1340	1340	0.42
7	A	1275	1275	0.00
8	A	1026	1026	0.08
9	A	932	932	69.72
10	A	763	763	142.17
11	A	553	553	2.09
12	A	326	326	4.15
13	A	239	239	15.02
14	B	3605	3605	9.04
15	B	3513	3513	4.39
16	B	3136	3136	43.11
17	B	1649	1649	54.24
18	B	1394	1394	8.59
19	B	1162	1162	129.21
20	B	1123	1123	3.08
21	B	820	820	48.32
22	B	708	708	313.12
23	B	342	342	29.40
24	B	248	248	99.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.589	0.036
C2	-0.312	-0.589	0.036
N3	-0.312	1.848	-0.106
N4	0.312	-1.848	-0.106
H5	1.396	0.634	0.038
H6	-1.396	-0.634	0.038
H7	-1.321	1.805	-0.053
H8	1.321	-1.805	-0.053
H9	0.031	2.541	0.545
H10	-0.031	-2.541	0.545

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3335	1.4123	2.4419	1.0854	2.1011	2.0374	2.5996	2.0369	3.1905
C2	1.3335		2.4419	1.4123	2.1011	1.0854	2.5996	2.0374	3.1905	2.0369
N3	1.4123	2.4419		3.7491	2.1008	2.7128	1.0112	4.0018	1.0112	4.4468
N4	2.4419	1.4123	3.7491		2.7128	2.1008	4.0018	1.0112	4.4468	1.0112
H5	1.0854	2.1011	2.1008	2.7128		3.0671	2.9600	2.4417	2.3998	3.5185
H6	2.1011	1.0854	2.7128	2.1008	3.0671		2.4417	2.9600	3.5185	2.3998
H7	2.0374	2.5996	1.0112	4.0018	2.9600	2.4417		4.4729	1.6520	4.5728
H8	2.5996	2.0374	4.0018	1.0112	2.4417	2.9600	4.4729		4.5728	1.6520
H9	2.0369	3.1905	1.0112	4.4468	2.3998	3.5185	1.6520	4.5728		5.0833
H10	3.1905	2.0369	4.4468	1.0112	3.5185	2.3998	4.5728	1.6520	5.0833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.548	C1	C2	H6	120.249
C1	N3	H7	113.387	C1	N3	H9	113.346
C2	C1	N3	125.548	C2	C1	H5	120.249
C2	N4	H8	113.387	C2	N4	H10	113.346
N3	C1	H5	113.876	N4	C2	H6	113.876
H7	N3	H9	109.541	H8	N4	H10	109.541

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3LYPultrafine/6-311+G(3df,2p)

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	0.262
2	C	0.262
3	N	-0.799
4	N	-0.799
5	H	0.133
6	H	0.133
7	H	0.199
8	H	0.199
9	H	0.205
10	H	0.205

	x	y	z	Total
	0.000	0.000	1.980	1.980
CHELPG
AIM
ESP

	x	y	z
x	6.168	0.053	0.000
y	0.053	9.996	0.000
z	0.000	0.000	5.151

<r²>	98.244
(<r²>)^1/2	9.912

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3LYPultrafine/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)