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	hartrees
Energy at 0K	-189.160886
Energy at 298.15K
HF Energy	-189.160886
Nuclear repulsion energy	118.024546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3635	3493	1.91
2	A	3539	3401	0.98
3	A	3149	3027	0.02
4	A	1773	1704	0.38
5	A	1642	1578	19.40
6	A	1336	1284	0.62
7	A	1290	1240	0.01
8	A	1041	1001	0.28
9	A	937	901	70.04
10	A	799	768	135.98
11	A	557	535	1.73
12	A	335	322	2.61
13	A	248	239	16.30
14	B	3634	3493	5.55
15	B	3537	3399	1.82
16	B	3154	3031	47.50
17	B	1649	1585	51.52
18	B	1393	1339	10.36
19	B	1194	1147	112.77
20	B	1127	1083	0.98
21	B	826	794	76.95
22	B	735	706	329.23
23	B	348	335	37.87
24	B	250	240	95.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.310	0.589	0.035
C2	-0.310	-0.589	0.035
N3	-0.310	1.842	-0.109
N4	0.310	-1.842	-0.109
H5	1.397	0.630	0.038
H6	-1.397	-0.630	0.038
H7	-1.317	1.782	-0.054
H8	1.317	-1.782	-0.054
H9	0.018	2.520	0.565
H10	-0.018	-2.520	0.565

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3322	1.4056	2.4358	1.0870	2.0977	2.0199	2.5781	2.0228	3.1708
C2	1.3322		2.4358	1.4056	2.0977	1.0870	2.5781	2.0199	3.1708	2.0228
N3	1.4056	2.4358		3.7364	2.0989	2.7041	1.0099	3.9736	1.0101	4.4231
N4	2.4358	1.4056	3.7364		2.7041	2.0989	3.9736	1.0099	4.4231	1.0101
H5	1.0870	2.0977	2.0989	2.7041		3.0641	2.9497	2.4153	2.3976	3.4925
H6	2.0977	1.0870	2.7041	2.0989	3.0641		2.4153	2.9497	3.4925	2.3976
H7	2.0199	2.5781	1.0099	3.9736	2.9497	2.4153		4.4325	1.6459	4.5361
H8	2.5781	2.0199	3.9736	1.0099	2.4153	2.9497	4.4325		4.5361	1.6459
H9	2.0228	3.1708	1.0101	4.4231	2.3976	3.4925	1.6459	4.5361		5.0392
H10	3.1708	2.0228	4.4231	1.0101	3.4925	2.3976	4.5361	1.6459	5.0392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.649	C1	C2	H6	119.908
C1	N3	H7	112.452	C1	N3	H9	112.700
C2	C1	N3	125.649	C2	C1	H5	119.908
C2	N4	H8	112.452	C2	N4	H10	112.700
N3	C1	H5	114.109	N4	C2	H6	114.109
H7	N3	H9	109.132	H8	N4	H10	109.132

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.102
2	C	-0.102
3	N	-0.255
4	N	-0.255
5	H	0.094
6	H	0.094
7	H	0.128
8	H	0.128
9	H	0.135
10	H	0.135

	x	y	z	Total
	0.000	0.000	2.011	2.011
CHELPG
AIM
ESP

	x	y	z
x	5.775	0.086	0.000
y	0.086	9.185	0.000
z	0.000	0.000	4.028

<r²>	97.100
(<r²>)^1/2	9.854

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)