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	hartrees
Energy at 0K	-189.158086
Energy at 298.15K
HF Energy	-189.158086
Nuclear repulsion energy	116.165734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3578	3551	0.43
2	A	3457	3431	0.04
3	A	3078	3054	0.21
4	A	1700	1687	1.53
5	A	1654	1641	11.55
6	A	1325	1315	1.55
7	A	1253	1243	0.75
8	A	991	983	0.63
9	A	899	892	58.14
10	A	556	552	88.12
11	A	510	506	324.14
12	A	349	346	5.70
13	A	231	229	28.58
14	B	3578	3550	2.17
15	B	3455	3428	0.89
16	B	3082	3059	74.42
17	B	1656	1644	70.04
18	B	1372	1362	6.68
19	B	1166	1158	143.82
20	B	1091	1082	5.69
21	B	761	755	21.47
22	B	463	459	276.28
23	B	331	328	22.93
24	B	215	214	178.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.318	0.601	0.056
C2	-0.318	-0.601	0.056
N3	-0.318	1.863	-0.092
N4	0.318	-1.863	-0.092
H5	1.413	0.652	0.068
H6	-1.413	-0.652	0.068
H7	-1.329	1.869	-0.214
H8	1.329	-1.869	-0.214
H9	0.042	2.643	0.457
H10	-0.042	-2.643	0.457

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3598	1.4214	2.4688	1.0965	2.1371	2.0961	2.6823	2.0989	3.2879
C2	1.3598		2.4688	1.4214	2.1371	1.0965	2.6823	2.0961	3.2879	2.0989
N3	1.4214	2.4688		3.7807	2.1191	2.7482	1.0185	4.0814	1.0187	4.5477
N4	2.4688	1.4214	3.7807		2.7482	2.1191	4.0814	1.0185	4.5477	1.0187
H5	1.0965	2.1371	2.1191	2.7482		3.1128	3.0135	2.5379	2.4484	3.6224
H6	2.1371	1.0965	2.7482	2.1191	3.1128		2.5379	3.0135	3.6224	2.4484
H7	2.0961	2.6823	1.0185	4.0814	3.0135	2.5379		4.5866	1.7110	4.7392
H8	2.6823	2.0961	4.0814	1.0185	2.5379	3.0135	4.5866		4.7392	1.7110
H9	2.0989	3.2879	1.0187	4.5477	2.4484	3.6224	1.7110	4.7392		5.2859
H10	3.2879	2.0989	4.5477	1.0187	3.6224	2.4484	4.7392	1.7110	5.2859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.154	C1	C2	H6	120.552
C1	N3	H7	117.478	C1	N3	H9	117.727
C2	C1	N3	125.154	C2	C1	H5	120.552
C2	N4	H8	117.478	C2	N4	H10	117.727
N3	C1	H5	114.005	N4	C2	H6	114.005
H7	N3	H9	114.250	H8	N4	H10	114.250

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: BLYP/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	0.049
2	C	0.049
3	N	-0.673
4	N	-0.673
5	H	0.080
6	H	0.080
7	H	0.273
8	H	0.273
9	H	0.272
10	H	0.272

	x	y	z	Total
	0.000	0.000	1.726	1.726
CHELPG
AIM
ESP

	x	y	z
x	5.109	0.058	0.000
y	0.058	9.021	0.000
z	0.000	0.000	2.193

<r²>	99.881
(<r²>)^1/2	9.994

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)