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	hartrees
Energy at 0K	-189.260688
Energy at 298.15K
HF Energy	-189.260688
Nuclear repulsion energy	117.272060

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	3533	3533	1.12	120.93	0.73	0.84
2	A	3438	3438	0.11	460.79	0.07	0.13
3	A	3083	3083	0.07	189.64	0.27	0.43
4	A	1698	1698	0.36	77.10	0.13	0.23
5	A	1614	1614	16.34	7.72	0.74	0.85
6	A	1309	1309	0.48	24.10	0.31	0.48
7	A	1252	1252	0.00	12.73	0.54	0.70
8	A	1010	1010	0.60	17.93	0.17	0.29
9	A	896	896	68.30	1.98	0.41	0.58
10	A	767	767	118.62	15.56	0.18	0.30
11	A	543	543	1.42	9.05	0.14	0.25
12	A	324	324	2.96	2.78	0.39	0.56
13	A	235	235	15.94	0.92	0.21	0.35
14	B	3532	3532	3.79	41.34	0.75	0.86
15	B	3435	3435	1.25	93.27	0.75	0.86
16	B	3088	3088	53.58	0.06	0.75	0.86
17	B	1620	1620	42.06	4.78	0.75	0.86
18	B	1366	1366	9.57	0.50	0.75	0.86
19	B	1142	1142	116.49	0.37	0.75	0.86
20	B	1107	1107	2.41	0.00	0.75	0.86
21	B	773	773	74.17	8.03	0.75	0.86
22	B	713	713	288.84	0.20	0.75	0.86
23	B	345	345	33.12	0.41	0.75	0.86
24	B	248	248	86.72	0.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.593	0.043
C2	-0.313	-0.593	0.043
N3	-0.313	1.853	-0.114
N4	0.313	-1.853	-0.114
H5	1.402	0.639	0.045
H6	-1.402	-0.639	0.045
H7	-1.324	1.797	-0.052
H8	1.324	-1.797	-0.052
H9	0.021	2.545	0.547
H10	-0.021	-2.545	0.547

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3420	1.4160	2.4514	1.0897	2.1123	2.0349	2.5971	2.0371	3.1964
C2	1.3420		2.4514	1.4160	2.1123	1.0897	2.5971	2.0349	3.1964	2.0371
N3	1.4160	2.4514		3.7588	2.1079	2.7241	1.0144	4.0013	1.0146	4.4574
N4	2.4514	1.4160	3.7588		2.7241	2.1079	4.0013	1.0144	4.4574	1.0146
H5	1.0897	2.1123	2.1079	2.7241		3.0818	2.9640	2.4392	2.4068	3.5239
H6	2.1123	1.0897	2.7241	2.1079	3.0818		2.4392	2.9640	3.5239	2.4068
H7	2.0349	2.5971	1.0144	4.0013	2.9640	2.4392		4.4648	1.6525	4.5731
H8	2.5971	2.0349	4.0013	1.0144	2.4392	2.9640	4.4648		4.5731	1.6525
H9	2.0371	3.1964	1.0146	4.4574	2.4068	3.5239	1.6525	4.5731		5.0907
H10	3.1964	2.0371	4.4574	1.0146	3.5239	2.4068	4.5731	1.6525	5.0907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.436	C1	C2	H6	120.252
C1	N3	H7	112.661	C1	N3	H9	112.838
C2	C1	N3	125.436	C2	C1	H5	120.252
C2	N4	H8	112.661	C2	N4	H10	112.838
N3	C1	H5	113.909	N4	C2	H6	113.909
H7	N3	H9	109.062	H8	N4	H10	109.062

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B97D3/daug-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	-0.151
2	C	-0.151
3	N	-0.413
4	N	-0.413
5	H	0.442
6	H	0.442
7	H	0.023
8	H	0.023
9	H	0.099
10	H	0.099

	x	y	z	Total
	0.000	0.000	1.919	1.919
CHELPG
AIM
ESP

	x	y	z
x	6.623	-0.135	0.000
y	-0.135	10.815	0.000
z	0.000	0.000	5.563

<r²>	98.600
(<r²>)^1/2	9.930

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B97D3/daug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)