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	hartrees
Energy at 0K	-189.170100
Energy at 298.15K
HF Energy	-188.955314
Nuclear repulsion energy	117.612632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3628	3463	1.79
2	A	3530	3369	1.19
3	A	3170	3026	0.06
4	A	1751	1671	0.56
5	A	1657	1581	24.69
6	A	1349	1288	0.38
7	A	1288	1229	0.00
8	A	1039	992	0.72
9	A	931	888	76.93
10	A	809	772	155.12
11	A	557	531	1.46
12	A	323	308	2.80
13	A	245	234	18.12
14	B	3628	3462	4.51
15	B	3529	3368	2.63
16	B	3175	3030	46.11
17	B	1664	1589	58.40
18	B	1406	1341	6.34
19	B	1174	1121	104.94
20	B	1139	1087	1.43
21	B	800	763	124.64
22	B	748	714	291.61
23	B	341	326	30.72
24	B	247	236	107.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.590	0.041
C2	-0.313	-0.590	0.041
N3	-0.313	1.849	-0.111
N4	0.313	-1.849	-0.111
H5	1.397	0.634	0.041
H6	-1.397	-0.634	0.041
H7	-1.322	1.789	-0.077
H8	1.322	-1.789	-0.077
H9	0.005	2.528	0.567
H10	-0.005	-2.528	0.567

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3357	1.4143	2.4434	1.0850	2.1031	2.0312	2.5866	2.0322	3.1783
C2	1.3357		2.4434	1.4143	2.1031	1.0850	2.5866	2.0312	3.1783	2.0322
N3	1.4143	2.4434		3.7504	2.1036	2.7133	1.0111	3.9887	1.0110	4.4400
N4	2.4434	1.4143	3.7504		2.7133	2.1036	3.9887	1.0111	4.4400	1.0110
H5	1.0850	2.1031	2.1036	2.7133		3.0686	2.9568	2.4269	2.4091	3.4989
H6	2.1031	1.0850	2.7133	2.1036	3.0686		2.4269	2.9568	3.4989	2.4091
H7	2.0312	2.5866	1.0111	3.9887	2.9568	2.4269		4.4490	1.6499	4.5595
H8	2.5866	2.0312	3.9887	1.0111	2.4269	2.9568	4.4490		4.5595	1.6499
H9	2.0322	3.1783	1.0110	4.4400	2.4091	3.4989	1.6499	4.5595		5.0566
H10	3.1783	2.0322	4.4400	1.0110	3.4989	2.4091	4.5595	1.6499	5.0566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.348	C1	C2	H6	120.288
C1	N3	H7	112.684	C1	N3	H9	112.780
C2	C1	N3	125.348	C2	C1	H5	120.288
C2	N4	H8	112.684	C2	N4	H10	112.780
N3	C1	H5	113.987	N4	C2	H6	113.987
H7	N3	H9	109.360	H8	N4	H10	109.360

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B2PLYP/TZVP

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	-0.102
2	C	-0.102
3	N	-0.391
4	N	-0.391
5	H	0.094
6	H	0.094
7	H	0.192
8	H	0.192
9	H	0.206
10	H	0.206

	x	y	z	Total
	0.000	0.000	2.172	2.172
CHELPG
AIM
ESP

	x	y	z
x	5.603	0.203	0.000
y	0.203	9.069	0.000
z	0.000	0.000	4.190

<r²>	98.104
(<r²>)^1/2	9.905

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B2PLYP/TZVP

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)