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	hartrees
Energy at 0K	-188.158456
Energy at 298.15K
HF Energy	-188.158456
Nuclear repulsion energy	115.895908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3417	3398	0.00
2	A	3308	3289	0.00
3	A	3062	3046	0.12
4	A	1674	1665	1.02
5	A	1658	1649	14.08
6	A	1321	1314	1.74
7	A	1253	1246	0.13
8	A	996	991	0.76
9	A	906	901	71.74
10	A	626	623	246.00
11	A	542	539	1.16
12	A	354	352	0.12
13	A	245	243	23.78
14	B	3417	3398	2.92
15	B	3304	3286	3.81
16	B	3069	3052	57.56
17	B	1664	1655	39.37
18	B	1374	1366	3.39
19	B	1136	1129	53.48
20	B	1116	1110	18.09
21	B	756	752	13.84
22	B	555	552	419.41
23	B	347	345	56.02
24	B	232	230	164.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.600	0.050
C2	-0.315	-0.600	0.050
N3	-0.315	1.873	-0.107
N4	0.315	-1.873	-0.107
H5	1.410	0.643	0.060
H6	-1.410	-0.643	0.060
H7	-1.344	1.838	-0.146
H8	1.344	-1.838	-0.146
H9	0.019	2.604	0.538
H10	-0.019	-2.604	0.538

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3553	1.4298	2.4779	1.0954	2.1265	2.0797	2.6532	2.0839	3.2577
C2	1.3553		2.4779	1.4298	2.1265	1.0954	2.6532	2.0797	3.2577	2.0839
N3	1.4298	2.4779		3.7991	2.1255	2.7492	1.0296	4.0655	1.0306	4.5330
N4	2.4779	1.4298	3.7991		2.7492	2.1255	4.0655	1.0296	4.5330	1.0306
H5	1.0954	2.1265	2.1255	2.7492		3.0995	3.0089	2.4908	2.4512	3.5795
H6	2.1265	1.0954	2.7492	2.1255	3.0995		2.4908	3.0089	3.5795	2.4512
H7	2.0797	2.6532	1.0296	4.0655	3.0089	2.4908		4.5540	1.7060	4.6857
H8	2.6532	2.0797	4.0655	1.0296	2.4908	3.0089	4.5540		4.6857	1.7060
H9	2.0839	3.2577	1.0306	4.5330	2.4512	3.5795	1.7060	4.6857		5.2077
H10	3.2577	2.0839	4.5330	1.0306	3.5795	2.4512	4.6857	1.7060	5.2077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.653	C1	C2	H6	120.013
C1	N3	H7	114.493	C1	N3	H9	114.805
C2	C1	N3	125.653	C2	C1	H5	120.013
C2	N4	H8	114.493	C2	N4	H10	114.805
N3	C1	H5	113.990	N4	C2	H6	113.990
H7	N3	H9	111.800	H8	N4	H10	111.800

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: BLYP/3-21G

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	-0.020
2	C	-0.020
3	N	-0.654
4	N	-0.654
5	H	0.151
6	H	0.151
7	H	0.262
8	H	0.262
9	H	0.261
10	H	0.261

	x	y	z	Total
	0.000	0.000	2.139	2.139
CHELPG
AIM
ESP

	x	y	z
x	4.883	0.005	0.000
y	0.005	8.700	0.000
z	0.000	0.000	1.885

<r²>	99.955
(<r²>)^1/2	9.998

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)