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	hartrees
Energy at 0K	-188.249674
Energy at 298.15K
HF Energy	-188.249674
Nuclear repulsion energy	116.576771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3541	3419	0.36
2	A	3429	3311	0.53
3	A	3148	3040	0.13
4	A	1727	1668	0.34
5	A	1703	1644	17.17
6	A	1355	1308	1.66
7	A	1282	1238	0.11
8	A	1019	984	0.41
9	A	947	914	89.15
10	A	637	616	279.55
11	A	551	532	3.09
12	A	356	343	0.50
13	A	250	241	25.44
14	B	3540	3419	1.01
15	B	3426	3309	0.08
16	B	3153	3045	55.36
17	B	1709	1650	49.59
18	B	1405	1357	2.76
19	B	1164	1124	71.96
20	B	1134	1095	9.95
21	B	791	763	15.68
22	B	562	543	428.22
23	B	344	332	53.95
24	B	221	213	185.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.595	0.046
C2	-0.315	-0.595	0.046
N3	-0.315	1.862	-0.102
N4	0.315	-1.862	-0.102
H5	1.403	0.639	0.053
H6	-1.403	-0.639	0.053
H7	-1.335	1.830	-0.153
H8	1.335	-1.830	-0.153
H9	0.018	2.588	0.537
H10	-0.018	-2.588	0.537

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3466	1.4228	2.4616	1.0888	2.1154	2.0712	2.6389	2.0737	3.2376
C2	1.3466		2.4616	1.4228	2.1154	1.0888	2.6389	2.0712	3.2376	2.0737
N3	1.4228	2.4616		3.7770	2.1146	2.7319	1.0221	4.0449	1.0228	4.5053
N4	2.4616	1.4228	3.7770		2.7319	2.1146	4.0449	1.0221	4.5053	1.0228
H5	1.0888	2.1154	2.1146	2.7319		3.0834	2.9935	2.4790	2.4393	3.5589
H6	2.1154	1.0888	2.7319	2.1146	3.0834		2.4790	2.9935	3.5589	2.4393
H7	2.0712	2.6389	1.0221	4.0449	2.9935	2.4790		4.5316	1.6975	4.6618
H8	2.6389	2.0712	4.0449	1.0221	2.4790	2.9935	4.5316		4.6618	1.6975
H9	2.0737	3.2376	1.0228	4.5053	2.4393	3.5589	1.6975	4.6618		5.1757
H10	3.2376	2.0737	4.5053	1.0228	3.5589	2.4393	4.6618	1.6975	5.1757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.432	C1	C2	H6	120.216
C1	N3	H7	114.819	C1	N3	H9	114.992
C2	C1	N3	125.432	C2	C1	H5	120.216
C2	N4	H8	114.819	C2	N4	H10	114.992
N3	C1	H5	114.029	N4	C2	H6	114.029
H7	N3	H9	112.220	H8	N4	H10	112.220

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: TPSSh/3-21G*

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	-0.042
2	C	-0.042
3	N	-0.726
4	N	-0.726
5	H	0.194
6	H	0.194
7	H	0.288
8	H	0.288
9	H	0.287
10	H	0.287

	x	y	z	Total
	0.000	0.000	2.203	2.203
CHELPG
AIM
ESP

	x	y	z
x	4.754	0.085	0.000
y	0.085	8.360	0.000
z	0.000	0.000	1.845

<r²>	98.938
(<r²>)^1/2	9.947

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: TPSSh/3-21G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)