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	hartrees
Energy at 0K	-189.205561
Energy at 298.15K
HF Energy	-189.205561
Nuclear repulsion energy	116.886925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3813	3813	4.38
2	A	3674	3674	0.93
3	A	3211	3211	0.04
4	A	1790	1790	2.93
5	A	1690	1690	7.16
6	A	1356	1356	0.30
7	A	1288	1288	1.46
8	A	1010	1010	0.67
9	A	948	948	112.09
10	A	569	569	15.12
11	A	412	412	495.52
12	A	337	337	67.63
13	A	210	210	33.24
14	B	3813	3813	16.75
15	B	3672	3672	28.44
16	B	3214	3214	73.66
17	B	1695	1695	141.51
18	B	1396	1396	7.36
19	B	1227	1227	232.03
20	B	1098	1098	6.15
21	B	829	829	21.37
22	B	363	363	199.71
23	B	322	322	6.37
24	B	146	146	201.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.318	0.596	0.048
C2	-0.318	-0.596	0.048
N3	-0.318	1.852	-0.072
N4	0.318	-1.852	-0.072
H5	1.406	0.639	0.058
H6	-1.406	-0.639	0.058
H7	-1.310	1.882	-0.248
H8	1.310	-1.882	-0.248
H9	0.077	2.644	0.409
H10	-0.077	-2.644	0.409

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3519	1.4133	2.4515	1.0881	2.1209	2.0958	2.6857	2.0928	3.2837
C2	1.3519		2.4515	1.4133	2.1209	1.0881	2.6857	2.0958	3.2837	2.0928
N3	1.4133	2.4515		3.7588	2.1121	2.7213	1.0075	4.0777	1.0068	4.5279
N4	2.4515	1.4133	3.7588		2.7213	2.1121	4.0777	1.0075	4.5279	1.0068
H5	1.0881	2.1209	2.1121	2.7213		3.0881	3.0022	2.5414	2.4302	3.6189
H6	2.1209	1.0881	2.7213	2.1121	3.0881		2.5414	3.0022	3.6189	2.4302
H7	2.0958	2.6857	1.0075	4.0777	3.0022	2.5414		4.5861	1.7130	4.7363
H8	2.6857	2.0958	4.0777	1.0075	2.5414	3.0022	4.5861		4.7363	1.7130
H9	2.0928	3.2837	1.0068	4.5279	2.4302	3.6189	1.7130	4.7363		5.2893
H10	3.2837	2.0928	4.5279	1.0068	3.6189	2.4302	4.7363	1.7130	5.2893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	124.870	C1	C2	H6	120.355
C1	N3	H7	118.983	C1	N3	H9	118.746
C2	C1	N3	124.870	C2	C1	H5	120.355
C2	N4	H8	118.983	C2	N4	H10	118.746
N3	C1	H5	114.582	N4	C2	H6	114.582
H7	N3	H9	116.519	H8	N4	H10	116.519

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: wB97X-D/LANL2DZ

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	-0.128
2	C	-0.128
3	N	-0.679
4	N	-0.679
5	H	0.201
6	H	0.201
7	H	0.301
8	H	0.301
9	H	0.304
10	H	0.304

	x	y	z	Total
	0.000	0.000	1.408	1.408
CHELPG
AIM
ESP

	x	y	z
x	4.755	0.380	0.000
y	0.380	8.462	0.000
z	0.000	0.000	2.626

<r²>	98.908
(<r²>)^1/2	9.945

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: wB97X-D/LANL2DZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)