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	hartrees
Energy at 0K	-189.166195
Energy at 298.15K
HF Energy	-189.166195
Nuclear repulsion energy	118.034228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3640	3640	2.50
2	A	3545	3545	0.21
3	A	3152	3152	0.06
4	A	1768	1768	0.54
5	A	1642	1642	17.76
6	A	1335	1335	0.47
7	A	1287	1287	0.01
8	A	1036	1036	0.12
9	A	936	936	69.11
10	A	771	771	136.87
11	A	555	555	2.48
12	A	331	331	4.20
13	A	243	243	15.24
14	B	3639	3639	11.02
15	B	3543	3543	4.72
16	B	3156	3156	43.60
17	B	1648	1648	55.55
18	B	1392	1392	10.52
19	B	1190	1190	135.09
20	B	1122	1122	1.18
21	B	825	825	49.50
22	B	715	715	299.46
23	B	344	344	34.18
24	B	248	248	95.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.589	0.035
C2	-0.311	-0.589	0.035
N3	-0.311	1.841	-0.106
N4	0.311	-1.841	-0.106
H5	1.397	0.630	0.037
H6	-1.397	-0.630	0.037
H7	-1.318	1.790	-0.051
H8	1.318	-1.790	-0.051
H9	0.029	2.529	0.549
H10	-0.029	-2.529	0.549

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3320	1.4050	2.4338	1.0866	2.0984	2.0257	2.5848	2.0272	3.1786
C2	1.3320		2.4338	1.4050	2.0984	1.0866	2.5848	2.0257	3.1786	2.0272
N3	1.4050	2.4338		3.7337	2.0982	2.7030	1.0096	3.9800	1.0095	4.4280
N4	2.4338	1.4050	3.7337		2.7030	2.0982	3.9800	1.0096	4.4280	1.0095
H5	1.0866	2.0984	2.0982	2.7030		3.0649	2.9533	2.4235	2.3959	3.5041
H6	2.0984	1.0866	2.7030	2.0982	3.0649		2.4235	2.9533	3.5041	2.3959
H7	2.0257	2.5848	1.0096	3.9800	2.9533	2.4235		4.4459	1.6492	4.5476
H8	2.5848	2.0257	3.9800	1.0096	2.4235	2.9533	4.4459		4.5476	1.6492
H9	2.0272	3.1786	1.0095	4.4280	2.3959	3.5041	1.6492	4.5476		5.0591
H10	3.1786	2.0272	4.4280	1.0095	3.5041	2.3959	4.5476	1.6492	5.0591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.531	C1	C2	H6	120.024
C1	N3	H7	113.044	C1	N3	H9	113.180
C2	C1	N3	125.531	C2	C1	H5	120.024
C2	N4	H8	113.044	C2	N4	H10	113.180
N3	C1	H5	114.119	N4	C2	H6	114.119
H7	N3	H9	109.542	H8	N4	H10	109.542

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HSEh1PBE/daug-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	-0.218
2	C	-0.218
3	N	-0.484
4	N	-0.484
5	H	0.542
6	H	0.542
7	H	0.029
8	H	0.029
9	H	0.131
10	H	0.131

	x	y	z	Total
	0.000	0.000	1.976	1.976
CHELPG
AIM
ESP

	x	y	z
x	6.321	-0.032	0.000
y	-0.032	10.156	0.000
z	0.000	0.000	5.261

<r²>	97.435
(<r²>)^1/2	9.871

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HSEh1PBE/daug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)