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	hartrees
Energy at 0K	-189.279637
Energy at 298.15K
HF Energy	-189.279637
Nuclear repulsion energy	117.906562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3646	3646	3.82	89.28	0.73	0.84
2	A	3553	3553	1.23	278.21	0.05	0.10
3	A	3165	3165	0.06	152.50	0.27	0.42
4	A	1783	1783	0.44	72.78	0.13	0.23
5	A	1639	1639	20.80	5.73	0.75	0.86
6	A	1341	1341	0.37	20.46	0.29	0.44
7	A	1282	1282	0.00	11.41	0.65	0.79
8	A	1038	1038	0.00	11.93	0.18	0.30
9	A	950	950	68.78	0.36	0.75	0.86
10	A	783	783	135.76	4.51	0.29	0.44
11	A	559	559	1.67	8.30	0.16	0.28
12	A	326	326	3.17	1.68	0.41	0.59
13	A	253	253	14.79	0.25	0.13	0.23
14	B	3645	3645	17.21	29.64	0.75	0.86
15	B	3551	3551	9.72	43.57	0.75	0.86
16	B	3169	3169	36.35	0.01	0.75	0.86
17	B	1646	1646	60.58	2.29	0.75	0.86
18	B	1391	1391	10.63	0.30	0.75	0.86
19	B	1187	1187	127.21	0.05	0.75	0.86
20	B	1123	1123	0.67	0.16	0.75	0.86
21	B	847	847	55.27	8.80	0.75	0.86
22	B	722	722	297.10	0.36	0.75	0.86
23	B	339	339	29.13	0.15	0.75	0.86
24	B	255	255	103.65	0.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.586	0.029
C2	-0.313	-0.586	0.029
N3	-0.313	1.844	-0.104
N4	0.313	-1.844	-0.104
H5	1.397	0.625	0.030
H6	-1.397	-0.625	0.030
H7	-1.321	1.786	-0.045
H8	1.321	-1.786	-0.045
H9	0.023	2.522	0.567
H10	-0.023	-2.522	0.567

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3285	1.4112	2.4337	1.0852	2.0956	2.0282	2.5784	2.0298	3.1717
C2	1.3285		2.4337	1.4112	2.0956	1.0852	2.5784	2.0282	3.1717	2.0298
N3	1.4112	2.4337		3.7407	2.1041	2.7003	1.0112	3.9811	1.0109	4.4265
N4	2.4337	1.4112	3.7407		2.7003	2.1041	3.9811	1.0112	4.4265	1.0109
H5	1.0852	2.0956	2.1041	2.7003		3.0615	2.9563	2.4138	2.4030	3.4939
H6	2.0956	1.0852	2.7003	2.1041	3.0615		2.4138	2.9563	3.4939	2.4030
H7	2.0282	2.5784	1.0112	3.9811	2.9563	2.4138		4.4426	1.6493	4.5406
H8	2.5784	2.0282	3.9811	1.0112	2.4138	2.9563	4.4426		4.5406	1.6493
H9	2.0298	3.1717	1.0109	4.4265	2.4030	3.4939	1.6493	4.5406		5.0436
H10	3.1717	2.0298	4.4265	1.0109	3.4939	2.4030	4.5406	1.6493	5.0436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.292	C1	C2	H6	120.161
C1	N3	H7	112.660	C1	N3	H9	112.828
C2	C1	N3	125.292	C2	C1	H5	120.161
C2	N4	H8	112.660	C2	N4	H10	112.828
N3	C1	H5	114.255	N4	C2	H6	114.255
H7	N3	H9	109.306	H8	N4	H10	109.306

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: M06-2X/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	0.255
2	C	0.255
3	N	-0.923
4	N	-0.923
5	H	0.178
6	H	0.178
7	H	0.244
8	H	0.244
9	H	0.246
10	H	0.246

	x	y	z	Total
	0.000	0.000	2.065	2.065
CHELPG
AIM
ESP

	x	y	z
x	6.011	0.075	0.000
y	0.075	9.528	0.000
z	0.000	0.000	4.965

<r²>	97.624
(<r²>)^1/2	9.880

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)