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	hartrees
Energy at 0K	-189.315458
Energy at 298.15K
HF Energy	-189.315458
Nuclear repulsion energy	117.352408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3569	3444	0.36
2	A	3474	3352	0.91
3	A	3143	3033	0.06
4	A	1753	1692	0.08
5	A	1647	1589	20.96
6	A	1336	1290	0.60
7	A	1287	1242	0.20
8	A	1035	999	1.07
9	A	952	919	50.74
10	A	839	810	112.43
11	A	548	529	0.81
12	A	340	328	0.18
13	A	256	247	15.67
14	B	3568	3443	1.23
15	B	3472	3350	0.87
16	B	3145	3035	52.62
17	B	1654	1596	34.49
18	B	1395	1346	10.44
19	B	1179	1138	73.19
20	B	1122	1083	1.31
21	B	807	779	194.34
22	B	767	741	244.35
23	B	356	344	54.55
24	B	255	246	68.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.592	0.039
C2	-0.313	-0.592	0.039
N3	-0.313	1.854	-0.116
N4	0.313	-1.854	-0.116
H5	1.400	0.641	0.040
H6	-1.400	-0.641	0.040
H7	-1.323	1.782	-0.035
H8	1.323	-1.782	-0.035
H9	0.012	2.522	0.577
H10	-0.012	-2.522	0.577

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3390	1.4170	2.4513	1.0888	2.1105	2.0233	2.5807	2.0266	3.1774
C2	1.3390		2.4513	1.4170	2.1105	1.0888	2.5807	2.0233	3.1774	2.0266
N3	1.4170	2.4513		3.7608	2.1047	2.7267	1.0159	3.9875	1.0164	4.4416
N4	2.4513	1.4170	3.7608		2.7267	2.1047	3.9875	1.0159	4.4416	1.0164
H5	1.0888	2.1105	2.1047	2.7267		3.0800	2.9529	2.4252	2.3991	3.5059
H6	2.1105	1.0888	2.7267	2.1047	3.0800		2.4252	2.9529	3.5059	2.3991
H7	2.0233	2.5807	1.0159	3.9875	2.9529	2.4252		4.4377	1.6443	4.5407
H8	2.5807	2.0233	3.9875	1.0159	2.4252	2.9529	4.4377		4.5407	1.6443
H9	2.0266	3.1774	1.0164	4.4416	2.3991	3.5059	1.6443	4.5407		5.0450
H10	3.1774	2.0266	4.4416	1.0164	3.5059	2.3991	4.5407	1.6443	5.0450

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.577	C1	C2	H6	120.412
C1	N3	H7	111.475	C1	N3	H9	111.723
C2	C1	N3	125.577	C2	C1	H5	120.412
C2	N4	H8	111.475	C2	N4	H10	111.723
N3	C1	H5	113.620	N4	C2	H6	113.620
H7	N3	H9	108.018	H8	N4	H10	108.018

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: TPSSh/6-31G(2df,p)

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	-0.051
2	C	-0.051
3	N	-0.560
4	N	-0.560
5	H	0.105
6	H	0.105
7	H	0.253
8	H	0.253
9	H	0.254
10	H	0.254

	x	y	z	Total
	0.000	0.000	2.112	2.112
CHELPG
AIM
ESP

	x	y	z
x	5.421	0.022	0.000
y	0.022	8.813	0.000
z	0.000	0.000	3.230

<r²>	97.715
(<r²>)^1/2	9.885

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)