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	hartrees
Energy at 0K	-34.640602
Energy at 298.15K
HF Energy	-34.640602
Nuclear repulsion energy	65.870593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3670	3576	0.76
2	A	3533	3443	0.00
3	A	3114	3035	0.02
4	A	1719	1675	0.85
5	A	1675	1633	13.18
6	A	1326	1292	0.79
7	A	1260	1227	1.39
8	A	997	972	0.07
9	A	920	896	84.12
10	A	559	545	64.71
11	A	488	476	326.32
12	A	331	322	9.04
13	A	225	219	34.55
14	B	3670	3576	1.68
15	B	3531	3441	3.30
16	B	3118	3038	83.39
17	B	1683	1641	100.64
18	B	1373	1338	5.21
19	B	1175	1145	183.58
20	B	1091	1063	7.64
21	B	791	771	23.21
22	B	454	442	291.41
23	B	320	312	5.82
24	B	179	174	186.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.321	0.601	0.055
C2	-0.321	-0.601	0.055
N3	-0.321	1.869	-0.089
N4	0.321	-1.869	-0.089
H5	1.412	0.647	0.067
H6	-1.412	-0.647	0.067
H7	-1.322	1.874	-0.243
H8	1.322	-1.874	-0.243
H9	0.030	2.638	0.470
H10	-0.030	-2.638	0.470

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3624	1.4287	2.4747	1.0919	2.1351	2.0994	2.6866	2.0988	3.2839
C2	1.3624		2.4747	1.4287	2.1351	1.0919	2.6866	2.0994	3.2839	2.0988
N3	1.4287	2.4747		3.7934	2.1257	2.7473	1.0128	4.0909	1.0130	4.5511
N4	2.4747	1.4287	3.7934		2.7473	2.1257	4.0909	1.0128	4.5511	1.0130
H5	1.0919	2.1351	2.1257	2.7473		3.1057	3.0120	2.5420	2.4565	3.6098
H6	2.1351	1.0919	2.7473	2.1257	3.1057		2.5420	3.0120	3.6098	2.4565
H7	2.0994	2.6866	1.0128	4.0909	3.0120	2.5420		4.5867	1.7082	4.7472
H8	2.6866	2.0994	4.0909	1.0128	2.5420	3.0120	4.5867		4.7472	1.7082
H9	2.0988	3.2839	1.0130	4.5511	2.4565	3.6098	1.7082	4.7472		5.2758
H10	3.2839	2.0988	4.5511	1.0130	3.6098	2.4565	4.7472	1.7082	5.2758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	124.889	C1	C2	H6	120.505
C1	N3	H7	117.599	C1	N3	H9	117.522
C2	C1	N3	124.889	C2	C1	H5	120.505
C2	N4	H8	117.599	C2	N4	H10	117.522
N3	C1	H5	114.328	N4	C2	H6	114.328
H7	N3	H9	114.969	H8	N4	H10	114.969

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3LYP/CEP-121G

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	-0.085
2	C	-0.085
3	N	-0.570
4	N	-0.570
5	H	0.108
6	H	0.108
7	H	0.273
8	H	0.273
9	H	0.274
10	H	0.274

	x	y	z	Total
	0.000	0.000	1.645	1.645
CHELPG
AIM
ESP

	x	y	z
x	5.470	0.285	0.000
y	0.285	9.185	0.000
z	0.000	0.000	3.464

<r²>	84.211
(<r²>)^1/2	9.177

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)