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	hartrees
Energy at 0K	-188.123929
Energy at 298.15K
HF Energy	-188.123929
Nuclear repulsion energy	118.074835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3830	3487	3.12	78.82	0.74	0.85
2	A	3735	3401	0.99	245.60	0.04	0.08
3	A	3309	3013	0.01	145.40	0.30	0.46
4	A	1909	1738	0.26	94.34	0.12	0.21
5	A	1764	1606	22.73	5.09	0.61	0.76
6	A	1438	1309	0.67	28.16	0.25	0.40
7	A	1369	1247	0.04	12.68	0.58	0.74
8	A	1106	1007	0.37	11.47	0.11	0.20
9	A	1040	947	78.85	0.74	0.38	0.55
10	A	875	796	129.08	2.45	0.41	0.59
11	A	587	535	1.62	8.89	0.17	0.30
12	A	328	298	4.59	2.02	0.35	0.52
13	A	255	232	14.03	0.38	0.74	0.85
14	B	3829	3487	11.52	28.31	0.75	0.86
15	B	3734	3400	7.81	47.44	0.75	0.86
16	B	3311	3015	48.46	0.01	0.75	0.86
17	B	1774	1615	60.81	2.19	0.75	0.86
18	B	1497	1363	7.97	0.24	0.75	0.86
19	B	1229	1119	132.22	0.05	0.75	0.86
20	B	1210	1102	0.01	0.68	0.75	0.86
21	B	936	853	88.61	14.37	0.75	0.86
22	B	813	740	265.59	0.01	0.75	0.86
23	B	351	319	18.64	0.16	0.75	0.86
24	B	246	224	120.41	0.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.585	0.017
C2	-0.311	-0.585	0.017
N3	-0.311	1.849	-0.095
N4	0.311	-1.849	-0.095
H5	1.394	0.626	0.018
H6	-1.394	-0.626	0.018
H7	-1.310	1.791	-0.063
H8	1.310	-1.791	-0.063
H9	0.000	2.488	0.610
H10	-0.000	-2.488	0.610

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3246	1.4139	2.4359	1.0835	2.0916	2.0232	2.5785	2.0181	3.1450
C2	1.3246		2.4359	1.4139	2.0916	1.0835	2.5785	2.0232	3.1450	2.0181
N3	1.4139	2.4359		3.7497	2.1016	2.7037	1.0012	3.9851	1.0017	4.4051
N4	2.4359	1.4139	3.7497		2.7037	2.1016	3.9851	1.0012	4.4051	1.0017
H5	1.0835	2.0916	2.1016	2.7037		3.0566	2.9460	2.4201	2.4002	3.4633
H6	2.0916	1.0835	2.7037	2.1016	3.0566		2.4201	2.9460	3.4633	2.4002
H7	2.0232	2.5785	1.0012	3.9851	2.9460	2.4201		4.4388	1.6302	4.5259
H8	2.5785	2.0232	3.9851	1.0012	2.4201	2.9460	4.4388		4.5259	1.6302
H9	2.0181	3.1450	1.0017	4.4051	2.4002	3.4633	1.6302	4.5259		4.9768
H10	3.1450	2.0181	4.4051	1.0017	3.4633	2.4002	4.5259	1.6302	4.9768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.592	C1	C2	H6	120.248
C1	N3	H7	112.680	C1	N3	H9	112.202
C2	C1	N3	125.592	C2	C1	H5	120.248
C2	N4	H8	112.680	C2	N4	H10	112.202
N3	C1	H5	113.953	N4	C2	H6	113.953
H7	N3	H9	108.960	H8	N4	H10	108.960

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HF/aug-cc-pVDZ

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	0.811
2	C	0.811
3	N	-0.436
4	N	-0.436
5	H	-0.333
6	H	-0.333
7	H	-0.026
8	H	-0.026
9	H	-0.016
10	H	-0.016

	x	y	z
x	5.843	0.293	0.000
y	0.293	8.964	0.000
z	0.000	0.000	4.895

<r²>	97.690
(<r²>)^1/2	9.884

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)