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	hartrees
Energy at 0K	-188.125402
Energy at 298.15K
HF Energy	-188.125402
Nuclear repulsion energy	118.359931

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	3841	3474	0.51	107.43	0.74	0.85
2	A	3755	3396	1.79	218.92	0.05	0.10
3	A	3307	2991	0.00	155.54	0.33	0.50
4	A	1924	1740	0.45	55.06	0.19	0.33
5	A	1835	1659	34.03	10.50	0.57	0.73
6	A	1456	1317	0.87	16.09	0.38	0.55
7	A	1390	1257	0.00	21.99	0.58	0.73
8	A	1122	1014	0.08	9.68	0.34	0.51
9	A	1052	952	84.29	0.38	0.66	0.79
10	A	925	836	155.11	1.73	0.39	0.56
11	A	591	534	1.33	7.71	0.31	0.48
12	A	331	299	1.71	3.54	0.52	0.68
13	A	262	237	20.45	1.33	0.75	0.86
14	B	3841	3474	1.37	36.53	0.75	0.86
15	B	3755	3396	0.10	61.87	0.75	0.86
16	B	3309	2992	67.68	0.13	0.75	0.86
17	B	1849	1672	69.79	4.56	0.75	0.86
18	B	1523	1378	6.71	0.61	0.75	0.86
19	B	1239	1120	56.01	0.80	0.75	0.86
20	B	1232	1114	45.95	0.81	0.75	0.86
21	B	948	857	182.47	19.84	0.75	0.86
22	B	848	767	283.83	0.43	0.75	0.86
23	B	355	321	24.15	0.24	0.75	0.86
24	B	238	215	138.81	0.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.309	0.583	0.019
C2	-0.309	-0.583	0.019
N3	-0.309	1.848	-0.096
N4	0.309	-1.848	-0.096
H5	1.387	0.626	0.019
H6	-1.387	-0.626	0.019
H7	-1.305	1.786	-0.093
H8	1.305	-1.786	-0.093
H9	-0.022	2.471	0.628
H10	0.022	-2.471	0.628

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3190	1.4128	2.4328	1.0786	2.0826	2.0165	2.5720	2.0119	3.1270
C2	1.3190		2.4328	1.4128	2.0826	1.0786	2.5720	2.0165	3.1270	2.0119
N3	1.4128	2.4328		3.7466	2.0937	2.7003	0.9972	3.9762	0.9978	4.3915
N4	2.4328	1.4128	3.7466		2.7003	2.0937	3.9762	0.9972	4.3915	0.9978
H5	1.0786	2.0826	2.0937	2.7003		3.0432	2.9333	2.4161	2.4005	3.4385
H6	2.0826	1.0786	2.7003	2.0937	3.0432		2.4161	2.9333	3.4385	2.4005
H7	2.0165	2.5720	0.9972	3.9762	2.9333	2.4161		4.4241	1.6228	4.5174
H8	2.5720	2.0165	3.9762	0.9972	2.4161	2.9333	4.4241		4.5174	1.6228
H9	2.0119	3.1270	0.9978	4.3915	2.4005	3.4385	1.6228	4.5174		4.9423
H10	3.1270	2.0119	4.3915	0.9978	3.4385	2.4005	4.5174	1.6228	4.9423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.847	C1	C2	H6	120.255
C1	N3	H7	112.442	C1	N3	H9	111.996
C2	C1	N3	125.847	C2	C1	H5	120.255
C2	N4	H8	112.442	C2	N4	H10	111.996
N3	C1	H5	113.677	N4	C2	H6	113.677
H7	N3	H9	108.867	H8	N4	H10	108.867

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HF/6-311G*

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	-0.047
2	C	-0.047
3	N	-0.837
4	N	-0.837
5	H	0.210
6	H	0.210
7	H	0.340
8	H	0.340
9	H	0.334
10	H	0.334

	x	y	z	Total
	0.000	0.000	2.474	2.474
CHELPG
AIM
ESP

	x	y	z
x	5.006	0.436	0.000
y	0.436	7.737	0.000
z	0.000	0.000	3.151

<r²>	97.106
(<r²>)^1/2	9.854

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)