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	hartrees
Energy at 0K	-189.146722
Energy at 298.15K
HF Energy	-188.922024
Nuclear repulsion energy	117.453849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3626	3626	0.30
2	A	3531	3531	0.49
3	A	3160	3160	0.02
4	A	1766	1766	1.17
5	A	1708	1708	31.23
6	A	1353	1353	0.74
7	A	1304	1304	0.03
8	A	1053	1053	1.89
9	A	932	932	89.21
10	A	854	854	143.35
11	A	556	556	1.17
12	A	328	328	0.74
13	A	251	251	20.38
14	B	3625	3625	0.64
15	B	3529	3529	0.65
16	B	3163	3163	57.81
17	B	1721	1721	59.79
18	B	1419	1419	6.35
19	B	1187	1187	80.81
20	B	1154	1154	0.53
21	B	817	817	350.95
22	B	769	769	131.63
23	B	346	346	37.89
24	B	247	247	108.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.592	0.040
C2	-0.312	-0.592	0.040
N3	-0.312	1.854	-0.113
N4	0.312	-1.854	-0.113
H5	1.399	0.638	0.040
H6	-1.399	-0.638	0.040
H7	-1.321	1.784	-0.078
H8	1.321	-1.784	-0.078
H9	-0.004	2.520	0.584
H10	0.004	-2.520	0.584

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3392	1.4157	2.4509	1.0877	2.1074	2.0250	2.5842	2.0274	3.1743
C2	1.3392		2.4509	1.4157	2.1074	1.0877	2.5842	2.0250	3.1743	2.0274
N3	1.4157	2.4509		3.7598	2.1045	2.7227	1.0117	3.9875	1.0118	4.4400
N4	2.4509	1.4157	3.7598		2.7227	2.1045	3.9875	1.0117	4.4400	1.0118
H5	1.0877	2.1074	2.1045	2.7227		3.0749	2.9536	2.4260	2.4095	3.4947
H6	2.1074	1.0877	2.7227	2.1045	3.0749		2.4260	2.9536	3.4947	2.4095
H7	2.0250	2.5842	1.0117	3.9875	2.9536	2.4260		4.4393	1.6474	4.5515
H8	2.5842	2.0250	3.9875	1.0117	2.4260	2.9536	4.4393		4.5515	1.6474
H9	2.0274	3.1743	1.0118	4.4400	2.4095	3.4947	1.6474	4.5515		5.0396
H10	3.1743	2.0274	4.4400	1.0118	3.4947	2.4095	4.5515	1.6474	5.0396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.641	C1	C2	H6	120.191
C1	N3	H7	111.987	C1	N3	H9	112.197
C2	C1	N3	125.641	C2	C1	H5	120.191
C2	N4	H8	111.987	C2	N4	H10	112.197
N3	C1	H5	113.773	N4	C2	H6	113.773
H7	N3	H9	108.997	H8	N4	H10	108.997

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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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All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B2PLYP=FULLultrafine/6-311G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)