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	hartrees
Energy at 0K	-189.122958
Energy at 298.15K
HF Energy	-189.122958
Nuclear repulsion energy	117.804973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3634	3487	0.37
2	A	3539	3396	0.94
3	A	3149	3022	0.02
4	A	1785	1713	0.00
5	A	1699	1630	31.89
6	A	1345	1291	0.61
7	A	1304	1251	0.15
8	A	1054	1012	0.67
9	A	935	897	80.68
10	A	832	799	159.94
11	A	559	536	1.89
12	A	338	325	0.75
13	A	255	245	21.70
14	B	3633	3487	0.93
15	B	3537	3394	0.90
16	B	3153	3025	61.81
17	B	1709	1640	65.53
18	B	1410	1353	7.93
19	B	1203	1154	99.59
20	B	1144	1098	0.80
21	B	816	783	172.78
22	B	759	728	300.10
23	B	351	337	46.56
24	B	252	242	108.55

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	1.398	0.636	0.041
H6	-1.398	-0.636	0.041
H7	-1.319	1.782	-0.083
H8	1.319	-1.782	-0.083
H9	-0.002	2.517	0.580
H10	0.002	-2.517	0.580

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3355	1.4075	2.4428	1.0898	2.1036	2.0210	2.5824	2.0239	3.1704
C2	1.3355		2.4428	1.4075	2.1036	1.0898	2.5824	2.0210	3.1704	2.0239
N3	1.4075	2.4428		3.7442	2.0989	2.7151	1.0115	3.9773	1.0118	4.4292
N4	2.4428	1.4075	3.7442		2.7151	2.0989	3.9773	1.0115	4.4292	1.0118
H5	1.0898	2.1036	2.0989	2.7151		3.0728	2.9515	2.4230	2.4062	3.4910
H6	2.1036	1.0898	2.7151	2.0989	3.0728		2.4230	2.9515	3.4910	2.4062
H7	2.0210	2.5824	1.0115	3.9773	2.9515	2.4230		4.4342	1.6474	4.5464
H8	2.5824	2.0210	3.9773	1.0115	2.4230	2.9515	4.4342		4.5464	1.6474
H9	2.0239	3.1704	1.0118	4.4292	2.4062	3.4910	1.6474	4.5464		5.0348
H10	3.1704	2.0239	4.4292	1.0118	3.4910	2.4062	4.5464	1.6474	5.0348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.859	C1	C2	H6	119.971
C1	N3	H7	112.292	C1	N3	H9	112.526
C2	C1	N3	125.859	C2	C1	H5	119.971
C2	N4	H8	112.292	C2	N4	H10	112.526
N3	C1	H5	113.773	N4	C2	H6	113.773
H7	N3	H9	109.016	H8	N4	H10	109.016

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HSEh1PBE/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	-0.086
2	C	-0.086
3	N	-0.771
4	N	-0.771
5	H	0.201
6	H	0.201
7	H	0.329
8	H	0.329
9	H	0.327
10	H	0.327

	x	y	z	Total
	0.000	0.000	2.319	2.319
CHELPG
AIM
ESP

	x	y	z
x	5.333	0.170	0.000
y	0.170	8.660	0.000
z	0.000	0.000	3.275

<r²>	97.387
(<r²>)^1/2	9.868

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)