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	hartrees
Energy at 0K	-189.232174
Energy at 298.15K
HF Energy	-188.960404
Nuclear repulsion energy	117.766808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3635	3635	2.74
2	A	3539	3539	0.36
3	A	3163	3163	0.08
4	A	1749	1749	0.24
5	A	1650	1650	19.66
6	A	1344	1344	0.41
7	A	1284	1284	0.00
8	A	1033	1033	0.14
9	A	937	937	70.69
10	A	776	776	136.74
11	A	554	554	2.05
12	A	325	325	3.83
13	A	240	240	15.27
14	B	3635	3635	11.31
15	B	3538	3538	5.89
16	B	3167	3167	39.85
17	B	1657	1657	53.57
18	B	1399	1399	8.74
19	B	1175	1175	124.92
20	B	1127	1127	1.88
21	B	818	818	59.35
22	B	721	721	295.94
23	B	341	341	30.64
24	B	248	248	98.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.589	0.035
C2	-0.313	-0.589	0.035
N3	-0.313	1.846	-0.107
N4	0.313	-1.846	-0.107
H5	1.396	0.632	0.037
H6	-1.396	-0.632	0.037
H7	-1.321	1.794	-0.057
H8	1.321	-1.794	-0.057
H9	0.021	2.531	0.556
H10	-0.021	-2.531	0.556

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3343	1.4113	2.4394	1.0837	2.1003	2.0319	2.5891	2.0318	3.1812
C2	1.3343		2.4394	1.4113	2.1003	1.0837	2.5891	2.0319	3.1812	2.0318
N3	1.4113	2.4394		3.7448	2.1012	2.7080	1.0101	3.9902	1.0098	4.4369
N4	2.4394	1.4113	3.7448		2.7080	2.1012	3.9902	1.0101	4.4369	1.0098
H5	1.0837	2.1003	2.1012	2.7080		3.0644	2.9561	2.4290	2.4016	3.5045
H6	2.1003	1.0837	2.7080	2.1012	3.0644		2.4290	2.9561	3.5045	2.4016
H7	2.0319	2.5891	1.0101	3.9902	2.9561	2.4290		4.4554	1.6484	4.5579
H8	2.5891	2.0319	3.9902	1.0101	2.4290	2.9561	4.4554		4.5579	1.6484
H9	2.0318	3.1812	1.0098	4.4369	2.4016	3.5045	1.6484	4.5579		5.0629
H10	3.1812	2.0318	4.4369	1.0098	3.5045	2.4016	4.5579	1.6484	5.0629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.337	C1	C2	H6	120.236
C1	N3	H7	113.054	C1	N3	H9	113.059
C2	C1	N3	125.337	C2	C1	H5	120.236
C2	N4	H8	113.054	C2	N4	H10	113.059
N3	C1	H5	114.098	N4	C2	H6	114.098
H7	N3	H9	109.388	H8	N4	H10	109.388

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)