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	hartrees
Energy at 0K	-189.300401
Energy at 298.15K
HF Energy	-189.300401
Nuclear repulsion energy	117.856334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3617	3478	1.65
2	A	3522	3387	0.90
3	A	3139	3019	0.02
4	A	1759	1692	0.34
5	A	1638	1575	19.23
6	A	1333	1282	0.60
7	A	1284	1235	0.00
8	A	1035	995	0.33
9	A	934	898	69.41
10	A	795	765	135.59
11	A	554	532	1.53
12	A	333	320	2.74
13	A	246	236	15.72
14	B	3616	3477	4.97
15	B	3520	3385	1.43
16	B	3144	3023	47.24
17	B	1645	1582	48.91
18	B	1390	1337	9.71
19	B	1183	1137	110.86
20	B	1124	1081	1.08
21	B	819	787	75.27
22	B	732	704	332.68
23	B	347	334	37.22
24	B	248	239	93.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.590	0.035
C2	-0.311	-0.590	0.035
N3	-0.311	1.845	-0.109
N4	0.311	-1.845	-0.109
H5	1.397	0.632	0.037
H6	-1.397	-0.632	0.037
H7	-1.318	1.788	-0.046
H8	1.318	-1.788	-0.046
H9	0.024	2.525	0.560
H10	-0.024	-2.525	0.560

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3338	1.4082	2.4397	1.0869	2.1000	2.0237	2.5842	2.0254	3.1770
C2	1.3338		2.4397	1.4082	2.1000	1.0869	2.5842	2.0237	3.1770	2.0254
N3	1.4082	2.4397		3.7426	2.0998	2.7091	1.0107	3.9826	1.0110	4.4309
N4	2.4397	1.4082	3.7426		2.7091	2.0998	3.9826	1.0107	4.4309	1.0110
H5	1.0869	2.1000	2.0998	2.7091		3.0665	2.9519	2.4234	2.3959	3.5019
H6	2.1000	1.0869	2.7091	2.0998	3.0665		2.4234	2.9519	3.5019	2.3959
H7	2.0237	2.5842	1.0107	3.9826	2.9519	2.4234		4.4432	1.6466	4.5441
H8	2.5842	2.0237	3.9826	1.0107	2.4234	2.9519	4.4432		4.5441	1.6466
H9	2.0254	3.1770	1.0110	4.4309	2.3959	3.5019	1.6466	4.5441		5.0510
H10	3.1770	2.0254	4.4309	1.0110	3.5019	2.3959	4.5441	1.6466	5.0510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.660	C1	C2	H6	120.003
C1	N3	H7	112.534	C1	N3	H9	112.667
C2	C1	N3	125.660	C2	C1	H5	120.003
C2	N4	H8	112.534	C2	N4	H10	112.667
N3	C1	H5	113.995	N4	C2	H6	113.995
H7	N3	H9	109.069	H8	N4	H10	109.069

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3PW91/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	-0.095
2	C	-0.095
3	N	-0.256
4	N	-0.256
5	H	0.093
6	H	0.093
7	H	0.127
8	H	0.127
9	H	0.132
10	H	0.132

	x	y	z	Total
	0.000	0.000	2.008	2.008
CHELPG
AIM
ESP

	x	y	z
x	5.780	0.078	0.000
y	0.078	9.253	0.000
z	0.000	0.000	4.039

<r²>	97.337
(<r²>)^1/2	9.866

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)