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	hartrees
Energy at 0K	-189.106706
Energy at 298.15K
HF Energy	-189.106706
Nuclear repulsion energy	117.803210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3638	3487	0.41
2	A	3543	3396	1.03
3	A	3151	3021	0.02
4	A	1788	1714	0.00
5	A	1699	1629	32.23
6	A	1346	1290	0.60
7	A	1305	1251	0.14
8	A	1055	1011	0.67
9	A	935	896	80.41
10	A	833	798	159.83
11	A	558	535	1.89
12	A	338	324	0.78
13	A	255	245	21.63
14	B	3637	3486	0.96
15	B	3541	3394	0.74
16	B	3155	3024	60.30
17	B	1710	1639	65.86
18	B	1410	1351	7.99
19	B	1205	1155	99.70
20	B	1144	1097	0.77
21	B	816	782	175.19
22	B	759	728	297.62
23	B	350	336	46.58
24	B	251	240	109.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.310	0.592	0.041
C2	-0.310	-0.592	0.041
N3	-0.310	1.846	-0.112
N4	0.310	-1.846	-0.112
H5	1.399	0.636	0.040
H6	-1.399	-0.636	0.040
H7	-1.319	1.782	-0.081
H8	1.319	-1.782	-0.081
H9	-0.001	2.517	0.581
H10	0.001	-2.517	0.581

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3356	1.4075	2.4429	1.0899	2.1039	2.0207	2.5822	2.0233	3.1700
C2	1.3356		2.4429	1.4075	2.1039	1.0899	2.5822	2.0207	3.1700	2.0233
N3	1.4075	2.4429		3.7444	2.0989	2.7154	1.0116	3.9773	1.0119	4.4286
N4	2.4429	1.4075	3.7444		2.7154	2.0989	3.9773	1.0116	4.4286	1.0119
H5	1.0899	2.1039	2.0989	2.7154		3.0732	2.9514	2.4229	2.4056	3.4909
H6	2.1039	1.0899	2.7154	2.0989	3.0732		2.4229	2.9514	3.4909	2.4056
H7	2.0207	2.5822	1.0116	3.9773	2.9514	2.4229		4.4339	1.6472	4.5453
H8	2.5822	2.0207	3.9773	1.0116	2.4229	2.9514	4.4339		4.5453	1.6472
H9	2.0233	3.1700	1.0119	4.4286	2.4056	3.4909	1.6472	4.5453		5.0334
H10	3.1700	2.0233	4.4286	1.0119	3.4909	2.4056	4.5453	1.6472	5.0334

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.864	C1	C2	H6	119.974
C1	N3	H7	112.267	C1	N3	H9	112.470
C2	C1	N3	125.864	C2	C1	H5	119.974
C2	N4	H8	112.267	C2	N4	H10	112.470
N3	C1	H5	113.765	N4	C2	H6	113.765
H7	N3	H9	108.989	H8	N4	H10	108.989

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBE1PBE/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	-0.084
2	C	-0.084
3	N	-0.775
4	N	-0.775
5	H	0.202
6	H	0.202
7	H	0.330
8	H	0.330
9	H	0.328
10	H	0.328

	x	y	z	Total
	0.000	0.000	2.326	2.326
CHELPG
AIM
ESP

	x	y	z
x	5.325	0.172	0.000
y	0.172	8.646	0.000
z	0.000	0.000	3.274

<r²>	97.382
(<r²>)^1/2	9.868

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBE1PBE/6-311G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)