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	hartrees
Energy at 0K	-189.382082
Energy at 298.15K
HF Energy	-189.382082
Nuclear repulsion energy	117.523316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3576	3576	1.10
2	A	3483	3483	0.29
3	A	3135	3135	0.04
4	A	1739	1739	0.44
5	A	1644	1644	19.49
6	A	1335	1335	0.51
7	A	1278	1278	0.00
8	A	1027	1027	0.43
9	A	935	935	68.48
10	A	802	802	124.03
11	A	546	546	1.34
12	A	331	331	2.72
13	A	245	245	15.89
14	B	3575	3575	2.74
15	B	3482	3482	0.57
16	B	3139	3139	48.40
17	B	1651	1651	40.98
18	B	1392	1392	10.31
19	B	1165	1165	103.74
20	B	1120	1120	1.92
21	B	802	802	88.08
22	B	741	741	322.95
23	B	346	346	44.80
24	B	245	245	83.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.591	0.041
C2	-0.313	-0.591	0.041
N3	-0.313	1.850	-0.114
N4	0.313	-1.850	-0.114
H5	1.399	0.637	0.042
H6	-1.399	-0.637	0.042
H7	-1.322	1.790	-0.049
H8	1.322	-1.790	-0.049
H9	0.019	2.534	0.557
H10	-0.019	-2.534	0.557

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3371	1.4143	2.4453	1.0867	2.1066	2.0297	2.5871	2.0317	3.1841
C2	1.3371		2.4453	1.4143	2.1066	1.0867	2.5871	2.0297	3.1841	2.0317
N3	1.4143	2.4453		3.7518	2.1032	2.7181	1.0134	3.9903	1.0137	4.4440
N4	2.4453	1.4143	3.7518		2.7181	2.1032	3.9903	1.0134	4.4440	1.0137
H5	1.0867	2.1066	2.1032	2.7181		3.0741	2.9564	2.4298	2.4012	3.5112
H6	2.1066	1.0867	2.7181	2.1032	3.0741		2.4298	2.9564	3.5112	2.4012
H7	2.0297	2.5871	1.0134	3.9903	2.9564	2.4298		4.4504	1.6489	4.5561
H8	2.5871	2.0297	3.9903	1.0134	2.4298	2.9564	4.4504		4.5561	1.6489
H9	2.0317	3.1841	1.0137	4.4440	2.4012	3.5112	1.6489	4.5561		5.0675
H10	3.1841	2.0317	4.4440	1.0137	3.5112	2.4012	4.5561	1.6489	5.0675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.408	C1	C2	H6	120.367
C1	N3	H7	112.403	C1	N3	H9	112.554
C2	C1	N3	125.408	C2	C1	H5	120.367
C2	N4	H8	112.403	C2	N4	H10	112.554
N3	C1	H5	113.834	N4	C2	H6	113.834
H7	N3	H9	108.865	H8	N4	H10	108.865

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: TPSSh/Def2TZVPP

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	-0.292
4	N	-0.292
5	H	0.029
6	H	0.029
7	H	0.131
8	H	0.131
9	H	0.145
10	H	0.145

	x	y	z	Total
	0.000	0.000	1.995	1.995
CHELPG
AIM
ESP

	x	y	z
x	5.954	0.041	0.000
y	0.041	9.656	0.000
z	0.000	0.000	4.493

<r²>	97.933
(<r²>)^1/2	9.896

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: TPSSh/Def2TZVPP

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)