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	hartrees
Energy at 0K	-189.160295
Energy at 298.15K
HF Energy	-189.160295
Nuclear repulsion energy	118.034804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3648	3648	2.68
2	A	3553	3553	0.44
3	A	3150	3150	0.06
4	A	1770	1770	0.54
5	A	1641	1641	19.44
6	A	1336	1336	0.39
7	A	1287	1287	0.01
8	A	1036	1036	0.07
9	A	936	936	70.21
10	A	770	770	139.29
11	A	556	556	2.61
12	A	330	330	4.53
13	A	242	242	15.49
14	B	3647	3647	11.35
15	B	3551	3551	5.23
16	B	3154	3154	43.42
17	B	1648	1648	59.27
18	B	1391	1391	10.21
19	B	1192	1192	134.25
20	B	1120	1120	1.36
21	B	825	825	51.60
22	B	712	712	306.78
23	B	343	343	33.30
24	B	247	247	98.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.589	0.035
C2	-0.311	-0.589	0.035
N3	-0.311	1.841	-0.106
N4	0.311	-1.841	-0.106
H5	1.397	0.631	0.037
H6	-1.397	-0.631	0.037
H7	-1.318	1.791	-0.051
H8	1.318	-1.791	-0.051
H9	0.028	2.529	0.550
H10	-0.028	-2.529	0.550

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3319	1.4047	2.4335	1.0869	2.0986	2.0264	2.5857	2.0274	3.1787
C2	1.3319		2.4335	1.4047	2.0986	1.0869	2.5857	2.0264	3.1787	2.0274
N3	1.4047	2.4335		3.7332	2.0979	2.7031	1.0100	3.9806	1.0099	4.4279
N4	2.4335	1.4047	3.7332		2.7031	2.0979	3.9806	1.0100	4.4279	1.0099
H5	1.0869	2.0986	2.0979	2.7031		3.0655	2.9540	2.4245	2.3961	3.5044
H6	2.0986	1.0869	2.7031	2.0979	3.0655		2.4245	2.9540	3.5044	2.3961
H7	2.0264	2.5857	1.0100	3.9806	2.9540	2.4245		4.4476	1.6492	4.5486
H8	2.5857	2.0264	3.9806	1.0100	2.4245	2.9540	4.4476		4.5486	1.6492
H9	2.0274	3.1787	1.0099	4.4279	2.3961	3.5044	1.6492	4.5486		5.0590
H10	3.1787	2.0274	4.4279	1.0099	3.5044	2.3961	4.5486	1.6492	5.0590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.541	C1	C2	H6	120.034
C1	N3	H7	113.098	C1	N3	H9	113.196
C2	C1	N3	125.541	C2	C1	H5	120.034
C2	N4	H8	113.098	C2	N4	H10	113.196
N3	C1	H5	114.098	N4	C2	H6	114.098
H7	N3	H9	109.471	H8	N4	H10	109.471

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HSEh1PBE/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	0.346
2	C	0.346
3	N	-0.821
4	N	-0.821
5	H	0.110
6	H	0.110
7	H	0.178
8	H	0.178
9	H	0.187
10	H	0.187

	x	y	z	Total
	0.000	0.000	1.991	1.991
CHELPG
AIM
ESP

	x	y	z
x	6.110	0.052	0.000
y	0.052	9.844	0.000
z	0.000	0.000	5.081

<r²>	97.408
(<r²>)^1/2	9.870

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)