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	hartrees
Energy at 0K	-189.224279
Energy at 298.15K
HF Energy	-189.224279
Nuclear repulsion energy	117.571495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3647	3459	0.86
2	A	3547	3365	2.21
3	A	3192	3028	0.11
4	A	1813	1720	0.09
5	A	1692	1605	28.98
6	A	1360	1290	0.65
7	A	1310	1243	0.01
8	A	1065	1010	1.13
9	A	950	902	60.27
10	A	842	799	168.30
11	A	566	537	1.22
12	A	332	315	0.25
13	A	253	240	20.52
14	B	3646	3458	1.95
15	B	3546	3363	0.05
16	B	3192	3028	55.10
17	B	1702	1614	56.28
18	B	1416	1343	7.73
19	B	1211	1149	93.31
20	B	1150	1090	0.90
21	B	827	784	181.01
22	B	763	723	295.99
23	B	352	334	36.32
24	B	254	241	120.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.590	0.032
C2	-0.313	-0.590	0.032
N3	-0.313	1.850	-0.108
N4	0.313	-1.850	-0.108
H5	1.401	0.638	0.031
H6	-1.401	-0.638	0.031
H7	-1.324	1.780	-0.060
H8	1.324	-1.780	-0.060
H9	0.001	2.512	0.594
H10	-0.001	-2.512	0.594

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3358	1.4135	2.4445	1.0894	2.1081	2.0253	2.5789	2.0265	3.1683
C2	1.3358		2.4445	1.4135	2.1081	1.0894	2.5789	2.0253	3.1683	2.0265
N3	1.4135	2.4445		3.7529	2.1038	2.7192	1.0145	3.9826	1.0146	4.4294
N4	2.4445	1.4135	3.7529		2.7192	2.1038	3.9826	1.0145	4.4294	1.0146
H5	1.0894	2.1081	2.1038	2.7192		3.0786	2.9559	2.4212	2.4063	3.4932
H6	2.1081	1.0894	2.7192	2.1038	3.0786		2.4212	2.9559	3.4932	2.4063
H7	2.0253	2.5789	1.0145	3.9826	2.9559	2.4212		4.4370	1.6484	4.5390
H8	2.5789	2.0253	3.9826	1.0145	2.4212	2.9559	4.4370		4.5390	1.6484
H9	2.0265	3.1683	1.0146	4.4294	2.4063	3.4932	1.6484	4.5390		5.0239
H10	3.1683	2.0265	4.4294	1.0146	3.4932	2.4063	4.5390	1.6484	5.0239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.503	C1	C2	H6	120.406
C1	N3	H7	112.009	C1	N3	H9	112.101
C2	C1	N3	125.503	C2	C1	H5	120.406
C2	N4	H8	112.009	C2	N4	H10	112.101
N3	C1	H5	113.761	N4	C2	H6	113.761
H7	N3	H9	108.664	H8	N4	H10	108.664

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: wB97X-D/6-31G*

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	-0.030
2	C	-0.030
3	N	-0.766
4	N	-0.766
5	H	0.146
6	H	0.146
7	H	0.324
8	H	0.324
9	H	0.325
10	H	0.325

	x	y	z	Total
	0.000	0.000	2.477	2.477
CHELPG
AIM
ESP

	x	y	z
x	5.073	0.171	0.000
y	0.171	8.231	0.000
z	0.000	0.000	2.633

<r²>	97.435
(<r²>)^1/2	9.871

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)