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	hartrees
Energy at 0K	-188.952167
Energy at 298.15K
HF Energy	-188.818334
Nuclear repulsion energy	116.948770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3721	3721	2.68
2	A	3597	3597	0.58
3	A	3183	3183	0.23
4	A	1764	1764	0.57
5	A	1721	1721	13.62
6	A	1374	1374	1.49
7	A	1298	1298	0.96
8	A	1031	1031	0.76
9	A	945	945	67.53
10	A	579	579	134.80
11	A	531	531	328.03
12	A	342	342	4.59
13	A	239	239	35.22
14	B	3721	3721	5.88
15	B	3595	3595	10.22
16	B	3186	3186	63.30
17	B	1725	1725	86.10
18	B	1421	1421	5.38
19	B	1208	1208	147.97
20	B	1133	1133	5.81
21	B	799	799	25.72
22	B	485	485	321.67
23	B	331	331	10.13
24	B	191	191	185.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.318	0.595	0.049
C2	-0.318	-0.595	0.049
N3	-0.318	1.852	-0.085
N4	0.318	-1.852	-0.085
H5	1.405	0.641	0.060
H6	-1.405	-0.641	0.060
H7	-1.315	1.857	-0.238
H8	1.315	-1.857	-0.238
H9	0.026	2.616	0.477
H10	-0.026	-2.616	0.477

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3497	1.4146	2.4514	1.0882	2.1205	2.0833	2.6634	2.0859	3.2581
C2	1.3497		2.4514	1.4146	2.1205	1.0882	2.6634	2.0833	3.2581	2.0859
N3	1.4146	2.4514		3.7586	2.1104	2.7242	1.0091	4.0559	1.0085	4.5131
N4	2.4514	1.4146	3.7586		2.7242	2.1104	4.0559	1.0091	4.5131	1.0085
H5	1.0882	2.1205	2.1104	2.7242		3.0885	2.9941	2.5180	2.4443	3.5822
H6	2.1205	1.0882	2.7242	2.1104	3.0885		2.5180	2.9941	3.5822	2.4443
H7	2.0833	2.6634	1.0091	4.0559	2.9941	2.5180		4.5515	1.6984	4.7100
H8	2.6634	2.0833	4.0559	1.0091	2.5180	2.9941	4.5515		4.7100	1.6984
H9	2.0859	3.2581	1.0085	4.5131	2.4443	3.5822	1.6984	4.7100		5.2326
H10	3.2581	2.0859	4.5131	1.0085	3.5822	2.4443	4.7100	1.6984	5.2326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	124.934	C1	C2	H6	120.488
C1	N3	H7	117.560	C1	N3	H9	117.845
C2	C1	N3	124.934	C2	C1	H5	120.488
C2	N4	H8	117.560	C2	N4	H10	117.845
N3	C1	H5	114.335	N4	C2	H6	114.335
H7	N3	H9	114.659	H8	N4	H10	114.659

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	0.048
2	C	0.048
3	N	-0.767
4	N	-0.767
5	H	0.118
6	H	0.118
7	H	0.301
8	H	0.301
9	H	0.299
10	H	0.299

	x	y	z	Total
	0.000	0.000	1.795	1.795
CHELPG
AIM
ESP

	x	y	z
x	4.854	0.166	0.000
y	0.166	8.316	0.000
z	0.000	0.000	2.148

<r²>	98.934
(<r²>)^1/2	9.947

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)