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	hartrees
Energy at 0K	-189.219794
Energy at 298.15K
HF Energy	-189.219794
Nuclear repulsion energy	116.129974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3425	3431	0.01
2	A	3332	3337	0.01
3	A	3046	3051	0.02
4	A	1690	1693	0.31
5	A	1580	1583	15.28
6	A	1285	1287	0.61
7	A	1249	1251	0.03
8	A	1011	1013	0.97
9	A	890	892	59.97
10	A	813	814	88.62
11	A	539	540	0.50
12	A	332	333	0.33
13	A	250	250	15.80
14	B	3424	3430	2.48
15	B	3329	3334	9.71
16	B	3049	3053	58.45
17	B	1586	1589	25.28
18	B	1345	1347	11.42
19	B	1145	1147	75.31
20	B	1101	1103	1.30
21	B	767	768	312.36
22	B	740	741	108.04
23	B	354	355	46.06
24	B	258	259	73.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.314	0.601	0.043
C2	-0.314	-0.601	0.043
N3	-0.314	1.872	-0.123
N4	0.314	-1.872	-0.123
H5	1.418	0.650	0.050
H6	-1.418	-0.650	0.050
H7	-1.338	1.798	-0.035
H8	1.338	-1.798	-0.035
H9	0.005	2.548	0.587
H10	-0.005	-2.548	0.587

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3564	1.4273	2.4781	1.1047	2.1363	2.0413	2.6091	2.0445	3.2110
C2	1.3564		2.4781	1.4273	2.1363	1.1047	2.6091	2.0413	3.2110	2.0445
N3	1.4273	2.4781		3.7954	2.1269	2.7574	1.0299	4.0249	1.0311	4.4864
N4	2.4781	1.4273	3.7954		2.7574	2.1269	4.0249	1.0299	4.4864	1.0311
H5	1.1047	2.1363	2.1269	2.7574		3.1190	2.9863	2.4500	2.4261	3.5405
H6	2.1363	1.1047	2.7574	2.1269	3.1190		2.4500	2.9863	3.5405	2.4261
H7	2.0413	2.6091	1.0299	4.0249	2.9863	2.4500		4.4816	1.6589	4.5873
H8	2.6091	2.0413	4.0249	1.0299	2.4500	2.9863	4.4816		4.5873	1.6589
H9	2.0445	3.2110	1.0311	4.4864	2.4261	3.5405	1.6589	4.5873		5.0952
H10	3.2110	2.0445	4.4864	1.0311	3.5405	2.4261	4.5873	1.6589	5.0952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.787	C1	C2	H6	120.123
C1	N3	H7	111.332	C1	N3	H9	111.519
C2	C1	N3	125.787	C2	C1	H5	120.123
C2	N4	H8	111.332	C2	N4	H10	111.519
N3	C1	H5	113.674	N4	C2	H6	113.674
H7	N3	H9	107.207	H8	N4	H10	107.207

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: BLYP/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	-0.020
2	C	-0.020
3	N	-0.076
4	N	-0.076
5	H	-0.039
6	H	-0.039
7	H	0.060
8	H	0.060
9	H	0.076
10	H	0.076

	x	y	z	Total
	0.000	0.000	2.030	2.030
CHELPG
AIM
ESP

	x	y	z
x	5.683	-0.004	0.000
y	-0.004	9.246	0.000
z	0.000	0.000	3.072

<r²>	99.558
(<r²>)^1/2	9.978

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: BLYP/cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)