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	hartrees
Energy at 0K	-189.258238
Energy at 298.15K
HF Energy	-189.258238
Nuclear repulsion energy	117.353522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3618	3490	1.98
2	A	3517	3393	0.10
3	A	3157	3045	0.07
4	A	1762	1699	0.60
5	A	1621	1564	17.97
6	A	1323	1276	0.47
7	A	1277	1232	0.00
8	A	1031	994	0.03
9	A	926	893	68.53
10	A	773	746	129.73
11	A	551	532	2.05
12	A	326	314	3.84
13	A	242	233	15.17
14	B	3618	3490	7.44
15	B	3515	3391	2.62
16	B	3160	3049	46.34
17	B	1629	1571	52.15
18	B	1379	1330	10.43
19	B	1185	1143	130.27
20	B	1114	1074	1.32
21	B	812	783	55.48
22	B	716	691	296.68
23	B	342	330	34.32
24	B	248	239	95.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.594	0.036
C2	-0.313	-0.594	0.036
N3	-0.313	1.851	-0.110
N4	0.313	-1.851	-0.110
H5	1.406	0.639	0.037
H6	-1.406	-0.639	0.037
H7	-1.325	1.796	-0.045
H8	1.325	-1.796	-0.045
H9	0.025	2.539	0.557
H10	-0.025	-2.539	0.557

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3424	1.4120	2.4493	1.0942	2.1154	2.0331	2.5965	2.0336	3.1933
C2	1.3424		2.4493	1.4120	2.1154	1.0942	2.5965	2.0331	3.1933	2.0336
N3	1.4120	2.4493		3.7547	2.1087	2.7233	1.0151	3.9985	1.0154	4.4493
N4	2.4493	1.4120	3.7547		2.7233	2.1087	3.9985	1.0151	4.4493	1.0154
H5	1.0942	2.1154	2.1087	2.7233		3.0890	2.9670	2.4377	2.4055	3.5236
H6	2.1154	1.0942	2.7233	2.1087	3.0890		2.4377	2.9670	3.5236	2.4055
H7	2.0331	2.5965	1.0151	3.9985	2.9670	2.4377		4.4634	1.6537	4.5651
H8	2.5965	2.0331	3.9985	1.0151	2.4377	2.9670	4.4634		4.5651	1.6537
H9	2.0336	3.1933	1.0154	4.4493	2.4055	3.5236	1.6537	4.5651		5.0776
H10	3.1933	2.0336	4.4493	1.0154	3.5236	2.4055	4.5651	1.6537	5.0776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.525	C1	C2	H6	120.148
C1	N3	H7	112.761	C1	N3	H9	112.792
C2	C1	N3	125.525	C2	C1	H5	120.148
C2	N4	H8	112.761	C2	N4	H10	112.792
N3	C1	H5	113.972	N4	C2	H6	113.972
H7	N3	H9	109.062	H8	N4	H10	109.062

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3PW91/aug-cc-pVDZ

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	0.817
2	C	0.817
3	N	-0.256
4	N	-0.256
5	H	-0.489
6	H	-0.489
7	H	-0.039
8	H	-0.039
9	H	-0.033
10	H	-0.033

	x	y	z	Total
	0.000	0.000	2.007	2.007
CHELPG
AIM
ESP

	x	y	z
x	6.311	0.006	0.000
y	0.006	10.192	0.000
z	0.000	0.000	5.251

<r²>	98.369
(<r²>)^1/2	9.918

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)