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	hartrees
Energy at 0K	-189.219220
Energy at 298.15K
HF Energy	-189.219220
Nuclear repulsion energy	117.801138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3676	3517	2.86
2	A	3569	3414	1.48
3	A	3184	3046	0.07
4	A	1786	1708	1.08
5	A	1653	1581	26.11
6	A	1337	1279	0.52
7	A	1287	1231	0.12
8	A	1039	994	0.02
9	A	936	895	75.78
10	A	773	740	180.44
11	A	553	529	3.75
12	A	325	311	3.79
13	A	246	235	19.94
14	B	3676	3516	10.75
15	B	3568	3413	5.07
16	B	3187	3048	52.69
17	B	1661	1589	73.84
18	B	1390	1330	10.24
19	B	1200	1148	143.68
20	B	1119	1070	1.73
21	B	813	778	63.59
22	B	713	682	326.23
23	B	338	323	38.06
24	B	243	232	115.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.591	0.039
C2	-0.312	-0.591	0.039
N3	-0.312	1.844	-0.107
N4	0.312	-1.844	-0.107
H5	1.398	0.636	0.039
H6	-1.398	-0.636	0.039
H7	-1.321	1.792	-0.081
H8	1.321	-1.792	-0.081
H9	0.010	2.532	0.560
H10	-0.010	-2.532	0.560

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3371	1.4071	2.4396	1.0871	2.1053	2.0304	2.5906	2.0316	3.1825
C2	1.3371		2.4396	1.4071	2.1053	1.0871	2.5906	2.0304	3.1825	2.0316
N3	1.4071	2.4396		3.7403	2.0987	2.7116	1.0107	3.9857	1.0108	4.4364
N4	2.4396	1.4071	3.7403		2.7116	2.0987	3.9857	1.0107	4.4364	1.0108
H5	1.0871	2.1053	2.0987	2.7116		3.0725	2.9569	2.4323	2.4062	3.5061
H6	2.1053	1.0871	2.7116	2.0987	3.0725		2.4323	2.9569	3.5061	2.4062
H7	2.0304	2.5906	1.0107	3.9857	2.9569	2.4323		4.4522	1.6523	4.5629
H8	2.5906	2.0304	3.9857	1.0107	2.4323	2.9569	4.4522		4.5629	1.6523
H9	2.0316	3.1825	1.0108	4.4364	2.4062	3.5061	1.6523	4.5629		5.0635
H10	3.1825	2.0316	4.4364	1.0108	3.5061	2.4062	4.5629	1.6523	5.0635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.472	C1	C2	H6	120.201
C1	N3	H7	113.211	C1	N3	H9	113.311
C2	C1	N3	125.472	C2	C1	H5	120.201
C2	N4	H8	113.211	C2	N4	H10	113.311
N3	C1	H5	113.963	N4	C2	H6	113.963
H7	N3	H9	109.649	H8	N4	H10	109.649

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B1B95/6-31+G**

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	-0.110
2	C	-0.110
3	N	-0.592
4	N	-0.592
5	H	0.127
6	H	0.127
7	H	0.284
8	H	0.284
9	H	0.291
10	H	0.291

	x	y	z	Total
	0.000	0.000	2.190	2.190
CHELPG
AIM
ESP

	x	y	z
x	5.631	0.223	0.000
y	0.223	9.322	0.000
z	0.000	0.000	4.538

<r²>	97.747
(<r²>)^1/2	9.887

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)