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	hartrees
Energy at 0K	-189.287606
Energy at 298.15K
HF Energy	-189.287606
Nuclear repulsion energy	117.910552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3638	3477	4.06
2	A	3546	3389	0.97
3	A	3157	3017	0.04
4	A	1780	1701	0.35
5	A	1639	1567	19.10
6	A	1339	1280	0.43
7	A	1283	1226	0.00
8	A	1040	994	0.05
9	A	950	908	68.65
10	A	785	750	133.83
11	A	559	534	1.71
12	A	331	316	3.23
13	A	251	240	13.86
14	B	3638	3477	18.88
15	B	3544	3387	10.84
16	B	3160	3020	34.89
17	B	1647	1574	58.13
18	B	1390	1328	10.99
19	B	1187	1134	131.84
20	B	1126	1076	0.84
21	B	846	809	53.14
22	B	727	695	293.18
23	B	344	329	30.62
24	B	253	242	99.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.586	0.028
C2	-0.313	-0.586	0.028
N3	-0.313	1.845	-0.103
N4	0.313	-1.845	-0.103
H5	1.397	0.625	0.028
H6	-1.397	-0.625	0.028
H7	-1.320	1.786	-0.041
H8	1.320	-1.786	-0.041
H9	0.026	2.522	0.566
H10	-0.026	-2.522	0.566

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3285	1.4115	2.4341	1.0848	2.0949	2.0271	2.5777	2.0294	3.1721
C2	1.3285		2.4341	1.4115	2.0949	1.0848	2.5777	2.0271	3.1721	2.0294
N3	1.4115	2.4341		3.7418	2.1044	2.6999	1.0106	3.9811	1.0102	4.4265
N4	2.4341	1.4115	3.7418		2.6999	2.1044	3.9811	1.0106	4.4265	1.0102
H5	1.0848	2.0949	2.1044	2.6999		3.0604	2.9552	2.4128	2.4015	3.4947
H6	2.0949	1.0848	2.6999	2.1044	3.0604		2.4128	2.9552	3.4947	2.4015
H7	2.0271	2.5777	1.0106	3.9811	2.9552	2.4128		4.4412	1.6491	4.5384
H8	2.5777	2.0271	3.9811	1.0106	2.4128	2.9552	4.4412		4.5384	1.6491
H9	2.0294	3.1721	1.0102	4.4265	2.4015	3.4947	1.6491	4.5384		5.0438
H10	3.1721	2.0294	4.4265	1.0102	3.4947	2.4015	4.5384	1.6491	5.0438

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.305	C1	C2	H6	120.131
C1	N3	H7	112.587	C1	N3	H9	112.808
C2	C1	N3	125.305	C2	C1	H5	120.131
C2	N4	H8	112.587	C2	N4	H10	112.808
N3	C1	H5	114.277	N4	C2	H6	114.277
H7	N3	H9	109.386	H8	N4	H10	109.386

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: M06-2X/aug-cc-pVTZ

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	-0.026
2	C	-0.026
3	N	-0.605
4	N	-0.605
5	H	0.409
6	H	0.409
7	H	0.122
8	H	0.122
9	H	0.100
10	H	0.100

	x	y	z	Total
	0.000	0.000	2.062	2.062
CHELPG
AIM
ESP

	x	y	z
x	6.187	0.028	0.000
y	0.028	9.756	0.000
z	0.000	0.000	5.130

<r²>	97.660
(<r²>)^1/2	9.882

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)