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	hartrees
Energy at 0K	-187.962568
Energy at 298.15K
HF Energy	-187.830332
Nuclear repulsion energy	116.771931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3581	3581	0.83
2	A	3472	3472	0.79
3	A	3175	3175	0.11
4	A	1740	1740	2.43
5	A	1722	1722	14.80
6	A	1372	1372	1.67
7	A	1293	1293	0.08
8	A	1030	1030	0.62
9	A	959	959	79.52
10	A	648	648	298.26
11	A	560	560	2.96
12	A	345	345	0.61
13	A	253	253	25.25
14	B	3581	3581	1.29
15	B	3470	3470	1.57
16	B	3180	3180	48.59
17	B	1730	1730	53.21
18	B	1423	1423	2.36
19	B	1170	1170	58.40
20	B	1150	1150	25.17
21	B	805	805	20.07
22	B	575	575	422.73
23	B	342	342	33.66
24	B	212	212	202.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.593	0.040
C2	-0.315	-0.593	0.040
N3	-0.315	1.861	-0.096
N4	0.315	-1.861	-0.096
H5	1.401	0.633	0.049
H6	-1.401	-0.633	0.049
H7	-1.330	1.832	-0.165
H8	1.330	-1.832	-0.165
H9	0.013	2.580	0.545
H10	-0.013	-2.580	0.545

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3432	1.4224	2.4579	1.0863	2.1090	2.0695	2.6368	2.0722	3.2297
C2	1.3432		2.4579	1.4224	2.1090	1.0863	2.6368	2.0695	3.2297	2.0722
N3	1.4224	2.4579		3.7751	2.1145	2.7243	1.0176	4.0434	1.0175	4.4973
N4	2.4579	1.4224	3.7751		2.7243	2.1145	4.0434	1.0176	4.4973	1.0175
H5	1.0863	2.1090	2.1145	2.7243		3.0743	2.9895	2.4757	2.4415	3.5456
H6	2.1090	1.0863	2.7243	2.1145	3.0743		2.4757	2.9895	3.5456	2.4415
H7	2.0695	2.6368	1.0176	4.0434	2.9895	2.4757		4.5276	1.6932	4.6588
H8	2.6368	2.0695	4.0434	1.0176	2.4757	2.9895	4.5276		4.6588	1.6932
H9	2.0722	3.2297	1.0175	4.4973	2.4415	3.5456	1.6932	4.6588		5.1601
H10	3.2297	2.0722	4.4973	1.0175	3.5456	2.4415	4.6588	1.6932	5.1601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.408	C1	C2	H6	120.107
C1	N3	H7	115.012	C1	N3	H9	115.266
C2	C1	N3	125.408	C2	C1	H5	120.107
C2	N4	H8	115.012	C2	N4	H10	115.266
N3	C1	H5	114.223	N4	C2	H6	114.223
H7	N3	H9	112.613	H8	N4	H10	112.613

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B2PLYP/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	-0.013
2	C	-0.013
3	N	-0.727
4	N	-0.727
5	H	0.177
6	H	0.177
7	H	0.281
8	H	0.281
9	H	0.281
10	H	0.281

	x	y	z	Total
	0.000	0.000	2.204	2.204
CHELPG
AIM
ESP

	x	y	z
x	4.647	0.123	0.000
y	0.123	8.001	0.000
z	0.000	0.000	1.795

<r²>	98.910
(<r²>)^1/2	9.945

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B2PLYP/3-21G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)