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	hartrees
Energy at 0K	-189.132477
Energy at 298.15K
HF Energy	-188.918536
Nuclear repulsion energy	117.033149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	?_a	3610	3610	2.12
2	?_a	3610	3610	7.43
3	A	3509	3509	0.03
4	A	3173	3173	0.08
5	A	1746	1746	0.27
6	A	1633	1633	18.31
7	A	1331	1331	0.44
8	A	1278	1278	0.00
9	A	1033	1033	0.09
10	A	931	931	68.83
11	A	789	789	119.98
12	A	550	550	1.55
13	A	317	317	2.72
14	A	244	244	15.10
15	B	3508	3508	2.99
16	B	3177	3177	42.70
17	B	1641	1641	48.22
18	B	1387	1387	9.16
19	B	1172	1172	118.21
20	B	1123	1123	1.57
21	B	811	811	75.77
22	B	735	735	268.92
23	B	339	339	31.29
24	B	247	247	94.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.316	0.594	0.036
C2	-0.316	-0.594	0.036
N3	-0.316	1.857	-0.111
N4	0.316	-1.857	-0.111
H5	1.407	0.639	0.039
H6	-1.407	-0.639	0.039
H7	-1.329	1.792	-0.058
H8	1.329	-1.792	-0.058
H9	0.005	2.534	0.575
H10	-0.005	-2.534	0.575

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3461	1.4198	2.4559	1.0925	2.1191	2.0364	2.5936	2.0375	3.1910
C2	1.3461		2.4559	1.4198	2.1191	1.0925	2.5936	2.0364	3.1910	2.0375
N3	1.4198	2.4559		3.7678	2.1160	2.7283	1.0161	4.0026	1.0160	4.4558
N4	2.4559	1.4198	3.7678		2.7283	2.1160	4.0026	1.0161	4.4558	1.0160
H5	1.0925	2.1191	2.1160	2.7283		3.0913	2.9706	2.4336	2.4185	3.5144
H6	2.1191	1.0925	2.7283	2.1160	3.0913		2.4336	2.9706	3.5144	2.4185
H7	2.0364	2.5936	1.0161	4.0026	2.9706	2.4336		4.4610	1.6523	4.5682
H8	2.5936	2.0364	4.0026	1.0161	2.4336	2.9706	4.4610		4.5682	1.6523
H9	2.0375	3.1910	1.0160	4.4558	2.4185	3.5144	1.6523	4.5682		5.0689
H10	3.1910	2.0375	4.4558	1.0160	3.5144	2.4185	4.5682	1.6523	5.0689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.203	C1	C2	H6	120.329
C1	N3	H7	112.378	C1	N3	H9	112.486
C2	C1	N3	125.203	C2	C1	H5	120.329
C2	N4	H8	112.378	C2	N4	H10	112.486
N3	C1	H5	114.125	N4	C2	H6	114.125
H7	N3	H9	108.800	H8	N4	H10	108.800

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B2PLYP/daug-cc-pVDZ

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	0.461
2	C	0.461
3	N	0.470
4	N	0.470
5	H	-0.802
6	H	-0.802
7	H	-0.109
8	H	-0.109
9	H	-0.020
10	H	-0.020

	x	y	z	Total
	0.000	0.000	2.049	2.049
CHELPG
AIM
ESP

	x	y	z
x	6.445	-0.031	0.000
y	-0.031	10.274	0.000
z	0.000	0.000	5.421

<r²>	99.135
(<r²>)^1/2	9.957

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B2PLYP/daug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)