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	hartrees
Energy at 0K	-33.796727
Energy at 298.15K
HF Energy	-33.796727
Nuclear repulsion energy	66.890079

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	3819	3450	0.60	106.14	0.74	0.85
2	A	3727	3367	1.46	226.55	0.05	0.09
3	A	3319	2998	0.00	156.59	0.32	0.49
4	A	1895	1712	0.40	59.09	0.16	0.28
5	A	1812	1637	37.96	14.50	0.44	0.61
6	A	1439	1300	0.59	19.43	0.36	0.53
7	A	1376	1243	0.01	22.72	0.58	0.73
8	A	1113	1006	0.05	11.24	0.27	0.43
9	A	1046	945	95.88	0.62	0.50	0.66
10	A	943	852	129.26	1.36	0.25	0.40
11	A	581	525	1.14	8.27	0.30	0.46
12	A	320	289	2.78	3.33	0.42	0.59
13	A	255	231	19.60	1.10	0.75	0.86
14	B	3819	3450	1.34	35.97	0.75	0.86
15	B	3727	3367	0.25	60.40	0.75	0.86
16	B	3321	3000	67.64	0.11	0.75	0.86
17	B	1830	1653	68.35	4.58	0.75	0.86
18	B	1507	1362	7.40	0.48	0.75	0.86
19	B	1224	1106	55.37	0.69	0.75	0.86
20	B	1216	1099	51.90	0.90	0.75	0.86
21	B	945	854	274.40	18.03	0.75	0.86
22	B	856	773	179.84	4.01	0.75	0.86
23	B	347	313	24.13	0.28	0.75	0.86
24	B	234	211	140.04	0.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.585	0.019
C2	-0.313	-0.585	0.019
N3	-0.313	1.860	-0.099
N4	0.313	-1.860	-0.099
H5	1.393	0.629	0.018
H6	-1.393	-0.629	0.018
H7	-1.312	1.783	-0.089
H8	1.312	-1.783	-0.089
H9	-0.035	2.471	0.646
H10	0.035	-2.471	0.646

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3276	1.4249	2.4477	1.0805	2.0939	2.0220	2.5726	2.0173	3.1320
C2	1.3276		2.4477	1.4249	2.0939	1.0805	2.5726	2.0220	3.1320	2.0173
N3	1.4249	2.4477		3.7717	2.1070	2.7149	1.0022	3.9889	1.0029	4.4077
N4	2.4477	1.4249	3.7717		2.7149	2.1070	3.9889	1.0022	4.4077	1.0029
H5	1.0805	2.0939	2.1070	2.7149		3.0563	2.9431	2.4153	2.4140	3.4416
H6	2.0939	1.0805	2.7149	2.1070	3.0563		2.4153	2.9431	3.4416	2.4140
H7	2.0220	2.5726	1.0022	3.9889	2.9431	2.4153		4.4277	1.6263	4.5220
H8	2.5726	2.0220	3.9889	1.0022	2.4153	2.9431	4.4277		4.5220	1.6263
H9	2.0173	3.1320	1.0029	4.4077	2.4140	3.4416	1.6263	4.5220		4.9417
H10	3.1320	2.0173	4.4077	1.0029	3.4416	2.4140	4.5220	1.6263	4.9417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.530	C1	C2	H6	120.455
C1	N3	H7	111.654	C1	N3	H9	111.196
C2	C1	N3	125.530	C2	C1	H5	120.455
C2	N4	H8	111.654	C2	N4	H10	111.196
N3	C1	H5	113.779	N4	C2	H6	113.779
H7	N3	H9	108.401	H8	N4	H10	108.401

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HF/CEP-121G*

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	-0.117
2	C	-0.117
3	N	-0.710
4	N	-0.710
5	H	0.170
6	H	0.170
7	H	0.328
8	H	0.328
9	H	0.329
10	H	0.329

	x	y	z	Total
	0.000	0.000	2.535	2.535
CHELPG
AIM
ESP

	x	y	z
x	5.176	0.495	0.000
y	0.495	7.990	0.000
z	0.000	0.000	3.614

<r²>	82.050
(<r²>)^1/2	9.058

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)