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	hartrees
Energy at 0K	-189.252632
Energy at 298.15K
HF Energy	-189.252632
Nuclear repulsion energy	118.008879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3643	3497	1.15
2	A	3546	3405	1.69
3	A	3159	3033	0.00
4	A	1783	1712	0.34
5	A	1648	1582	24.44
6	A	1335	1282	0.57
7	A	1292	1240	0.05
8	A	1043	1002	0.14
9	A	937	900	74.01
10	A	805	772	148.89
11	A	554	532	1.97
12	A	333	320	1.70
13	A	252	242	17.59
14	B	3642	3497	2.79
15	B	3545	3403	0.56
16	B	3162	3036	55.26
17	B	1656	1590	58.06
18	B	1393	1337	10.05
19	B	1198	1151	112.78
20	B	1128	1083	1.10
21	B	817	784	86.08
22	B	738	709	337.48
23	B	345	331	42.88
24	B	245	235	100.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.310	0.590	0.036
C2	-0.310	-0.590	0.036
N3	-0.310	1.843	-0.110
N4	0.310	-1.843	-0.110
H5	1.396	0.631	0.037
H6	-1.396	-0.631	0.037
H7	-1.317	1.779	-0.064
H8	1.317	-1.779	-0.064
H9	0.008	2.515	0.574
H10	-0.008	-2.515	0.574

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3326	1.4063	2.4369	1.0861	2.0976	2.0184	2.5756	2.0215	3.1666
C2	1.3326		2.4369	1.4063	2.0976	1.0861	2.5756	2.0184	3.1666	2.0215
N3	1.4063	2.4369		3.7378	2.0981	2.7053	1.0101	3.9710	1.0103	4.4213
N4	2.4369	1.4063	3.7378		2.7053	2.0981	3.9710	1.0101	4.4213	1.0103
H5	1.0861	2.0976	2.0981	2.7053		3.0632	2.9478	2.4129	2.4005	3.4862
H6	2.0976	1.0861	2.7053	2.0981	3.0632		2.4129	2.9478	3.4862	2.4005
H7	2.0184	2.5756	1.0101	3.9710	2.9478	2.4129		4.4270	1.6452	4.5338
H8	2.5756	2.0184	3.9710	1.0101	2.4129	2.9478	4.4270		4.5338	1.6452
H9	2.0215	3.1666	1.0103	4.4213	2.4005	3.4862	1.6452	4.5338		5.0294
H10	3.1666	2.0215	4.4213	1.0103	3.4862	2.4005	4.5338	1.6452	5.0294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.663	C1	C2	H6	119.932
C1	N3	H7	112.260	C1	N3	H9	112.516
C2	C1	N3	125.663	C2	C1	H5	119.932
C2	N4	H8	112.260	C2	N4	H10	112.516
N3	C1	H5	114.048	N4	C2	H6	114.048
H7	N3	H9	109.037	H8	N4	H10	109.037

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B1B95/6-311G**

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	-0.059
2	C	-0.059
3	N	-0.452
4	N	-0.452
5	H	0.107
6	H	0.107
7	H	0.199
8	H	0.199
9	H	0.205
10	H	0.205

	x	y	z	Total
	0.000	0.000	2.181	2.181
CHELPG
AIM
ESP

	x	y	z
x	5.419	0.158	0.000
y	0.158	8.692	0.000
z	0.000	0.000	3.374

<r²>	96.990
(<r²>)^1/2	9.848

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)