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	hartrees
Energy at 0K	-189.233920
Energy at 298.15K
HF Energy	-189.233920
Nuclear repulsion energy	117.720765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3646	3492	2.32
2	A	3544	3395	0.21
3	A	3177	3044	0.07
4	A	1783	1708	0.68
5	A	1624	1556	18.25
6	A	1326	1270	0.43
7	A	1283	1229	0.01
8	A	1036	992	0.01
9	A	932	893	66.45
10	A	774	742	129.73
11	A	551	527	2.47
12	A	324	311	4.04
13	A	242	232	14.91
14	B	3645	3492	8.60
15	B	3542	3393	3.64
16	B	3181	3047	47.07
17	B	1632	1563	55.18
18	B	1380	1322	12.79
19	B	1196	1145	133.05
20	B	1114	1067	1.36
21	B	820	786	54.99
22	B	717	686	290.51
23	B	339	325	36.54
24	B	243	233	96.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.591	0.035
C2	-0.312	-0.591	0.035
N3	-0.312	1.845	-0.108
N4	0.312	-1.845	-0.108
H5	1.403	0.634	0.036
H6	-1.403	-0.634	0.036
H7	-1.321	1.787	-0.049
H8	1.321	-1.787	-0.049
H9	0.020	2.528	0.561
H10	-0.020	-2.528	0.561

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3376	1.4081	2.4409	1.0913	2.1080	2.0263	2.5852	2.0281	3.1811
C2	1.3376		2.4409	1.4081	2.1080	1.0913	2.5852	2.0263	3.1811	2.0281
N3	1.4081	2.4409		3.7429	2.1044	2.7125	1.0124	3.9834	1.0125	4.4341
N4	2.4409	1.4081	3.7429		2.7125	2.1044	3.9834	1.0124	4.4341	1.0125
H5	1.0913	2.1080	2.1044	2.7125		3.0789	2.9592	2.4244	2.4030	3.5074
H6	2.1080	1.0913	2.7125	2.1044	3.0789		2.4244	2.9592	3.5074	2.4030
H7	2.0263	2.5852	1.0124	3.9834	2.9592	2.4244		4.4453	1.6493	4.5485
H8	2.5852	2.0263	3.9834	1.0124	2.4244	2.9592	4.4453		4.5485	1.6493
H9	2.0281	3.1811	1.0125	4.4341	2.4030	3.5074	1.6493	4.5485		5.0567
H10	3.1811	2.0281	4.4341	1.0125	3.5074	2.4030	4.5485	1.6493	5.0567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.472	C1	C2	H6	120.085
C1	N3	H7	112.650	C1	N3	H9	112.805
C2	C1	N3	125.472	C2	C1	H5	120.085
C2	N4	H8	112.650	C2	N4	H10	112.805
N3	C1	H5	114.099	N4	C2	H6	114.099
H7	N3	H9	109.082	H8	N4	H10	109.082

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B1B95/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	0.863
2	C	0.863
3	N	-0.211
4	N	-0.211
5	H	-0.542
6	H	-0.542
7	H	-0.059
8	H	-0.059
9	H	-0.051
10	H	-0.051

	x	y	z	Total
	0.000	0.000	2.015	2.015
CHELPG
AIM
ESP

	x	y	z
x	6.273	0.017	0.000
y	0.017	10.048	0.000
z	0.000	0.000	5.191

<r²>	97.829
(<r²>)^1/2	9.891

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)