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	hartrees
Energy at 0K	-189.306430
Energy at 298.15K
HF Energy	-189.306430
Nuclear repulsion energy	117.226685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3583	3435	0.12
2	A	3479	3336	0.64
3	A	3154	3024	0.12
4	A	1762	1689	0.16
5	A	1656	1587	24.49
6	A	1342	1286	0.67
7	A	1289	1236	0.02
8	A	1040	997	0.82
9	A	943	904	59.17
10	A	833	799	141.73
11	A	549	527	1.08
12	A	339	325	0.00
13	A	255	244	19.24
14	B	3582	3434	1.03
15	B	3477	3334	2.77
16	B	3156	3026	60.10
17	B	1665	1596	39.70
18	B	1400	1342	10.30
19	B	1185	1136	79.53
20	B	1126	1080	1.37
21	B	792	760	228.23
22	B	758	727	245.95
23	B	354	340	58.49
24	B	254	244	83.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.594	0.041
C2	-0.313	-0.594	0.041
N3	-0.313	1.855	-0.116
N4	0.313	-1.855	-0.116
H5	1.402	0.643	0.042
H6	-1.402	-0.643	0.042
H7	-1.326	1.781	-0.059
H8	1.326	-1.781	-0.059
H9	-0.002	2.525	0.583
H10	0.002	-2.525	0.583

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3435	1.4171	2.4543	1.0892	2.1146	2.0261	2.5836	2.0302	3.1812
C2	1.3435		2.4543	1.4171	2.1146	1.0892	2.5836	2.0261	3.1812	2.0302
N3	1.4171	2.4543		3.7629	2.1062	2.7293	1.0167	3.9888	1.0177	4.4469
N4	2.4543	1.4171	3.7629		2.7293	2.1062	3.9888	1.0167	4.4469	1.0177
H5	1.0892	2.1146	2.1062	2.7293		3.0839	2.9570	2.4269	2.4093	3.5053
H6	2.1146	1.0892	2.7293	2.1062	3.0839		2.4269	2.9570	3.5053	2.4093
H7	2.0261	2.5836	1.0167	3.9888	2.9570	2.4269		4.4402	1.6490	4.5513
H8	2.5836	2.0261	3.9888	1.0167	2.4269	2.9570	4.4402		4.5513	1.6490
H9	2.0302	3.1812	1.0177	4.4469	2.4093	3.5053	1.6490	4.5513		5.0500
H10	3.1812	2.0302	4.4469	1.0177	3.5053	2.4093	4.5513	1.6490	5.0500

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.495	C1	C2	H6	120.378
C1	N3	H7	111.658	C1	N3	H9	111.945
C2	C1	N3	125.495	C2	C1	H5	120.378
C2	N4	H8	111.658	C2	N4	H10	111.945
N3	C1	H5	113.720	N4	C2	H6	113.720
H7	N3	H9	108.300	H8	N4	H10	108.300

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: TPSSh/6-31G**

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	0.012
2	C	0.012
3	N	-0.633
4	N	-0.633
5	H	0.102
6	H	0.102
7	H	0.258
8	H	0.258
9	H	0.260
10	H	0.260

	x	y	z	Total
	0.000	0.000	2.321	2.321
CHELPG
AIM
ESP

	x	y	z
x	5.249	0.070	0.000
y	0.070	8.667	0.000
z	0.000	0.000	2.757

<r²>	97.913
(<r²>)^1/2	9.895

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: TPSSh/6-31G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)