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	hartrees
Energy at 0K	-34.650263
Energy at 298.15K
HF Energy	-34.650263
Nuclear repulsion energy	66.088874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3735	3735	1.54
2	A	3595	3595	0.14
3	A	3146	3146	0.02
4	A	1759	1759	2.24
5	A	1687	1687	10.01
6	A	1337	1337	0.51
7	A	1278	1278	1.46
8	A	1009	1009	0.19
9	A	932	932	88.52
10	A	565	565	27.21
11	A	442	442	409.74
12	A	324	324	32.93
13	A	199	199	30.72
14	B	3735	3735	3.48
15	B	3594	3594	7.50
16	B	3147	3147	84.36
17	B	1695	1695	128.25
18	B	1384	1384	6.96
19	B	1212	1212	196.14
20	B	1096	1096	4.86
21	B	818	818	20.90
22	B	403	403	242.55
23	B	318	318	2.49
24	B	125	125	195.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.321	0.598	0.050
C2	-0.321	-0.598	0.050
N3	-0.321	1.861	-0.080
N4	0.321	-1.861	-0.080
H5	1.411	0.641	0.061
H6	-1.411	-0.641	0.061
H7	-1.315	1.877	-0.250
H8	1.315	-1.877	-0.250
H9	0.048	2.638	0.448
H10	-0.048	-2.638	0.448

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3566	1.4229	2.4625	1.0912	2.1292	2.0981	2.6837	2.0965	3.2809
C2	1.3566		2.4625	1.4229	2.1292	1.0912	2.6837	2.0981	3.2809	2.0965
N3	1.4229	2.4625		3.7774	2.1228	2.7335	1.0093	4.0838	1.0089	4.5384
N4	2.4625	1.4229	3.7774		2.7335	2.1228	4.0838	1.0093	4.5384	1.0089
H5	1.0912	2.1292	2.1228	2.7335		3.0997	3.0092	2.5389	2.4485	3.6100
H6	2.1292	1.0912	2.7335	2.1228	3.0997		2.5389	3.0092	3.6100	2.4485
H7	2.0981	2.6837	1.0093	4.0838	3.0092	2.5389		4.5835	1.7103	4.7409
H8	2.6837	2.0981	4.0838	1.0093	2.5389	3.0092	4.5835		4.7409	1.7103
H9	2.0965	3.2809	1.0089	4.5384	2.4485	3.6100	1.7103	4.7409		5.2769
H10	3.2809	2.0965	4.5384	1.0089	3.6100	2.4485	4.7409	1.7103	5.2769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	124.722	C1	C2	H6	120.491
C1	N3	H7	118.233	C1	N3	H9	118.115
C2	C1	N3	124.722	C2	C1	H5	120.491
C2	N4	H8	118.233	C2	N4	H10	118.115
N3	C1	H5	114.564	N4	C2	H6	114.564
H7	N3	H9	115.864	H8	N4	H10	115.864

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: wB97X-D/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	-0.086
2	C	-0.086
3	N	-0.619
4	N	-0.619
5	H	0.128
6	H	0.128
7	H	0.289
8	H	0.289
9	H	0.289
10	H	0.289

	x	y	z	Total
	0.000	0.000	1.529	1.529
CHELPG
AIM
ESP

	x	y	z
x	5.282	0.361	0.000
y	0.361	8.693	0.000
z	0.000	0.000	3.432

<r²>	83.570
(<r²>)^1/2	9.142

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: wB97X-D/CEP-121G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)