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	hartrees
Energy at 0K	-188.113766
Energy at 298.15K
HF Energy	-188.113766
Nuclear repulsion energy	118.483641

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	3836	3473	1.78	99.06	0.73	0.84
2	A	3743	3389	3.65	216.14	0.05	0.10
3	A	3299	2987	0.02	137.52	0.30	0.47
4	A	1927	1745	0.02	54.14	0.21	0.35
5	A	1781	1613	24.99	5.98	0.74	0.85
6	A	1448	1311	0.69	19.06	0.37	0.54
7	A	1380	1249	0.13	14.72	0.65	0.79
8	A	1113	1008	0.11	8.59	0.33	0.49
9	A	1064	963	53.45	0.81	0.36	0.53
10	A	903	817	145.05	3.08	0.47	0.64
11	A	592	536	1.04	7.35	0.29	0.46
12	A	338	306	1.23	3.54	0.58	0.73
13	A	264	239	15.61	1.24	0.75	0.86
14	B	3835	3473	7.42	32.47	0.75	0.86
15	B	3742	3388	2.89	49.43	0.75	0.86
16	B	3299	2988	53.16	0.05	0.75	0.86
17	B	1791	1621	54.90	4.62	0.75	0.86
18	B	1510	1367	8.33	0.62	0.75	0.86
19	B	1235	1118	101.06	0.34	0.75	0.86
20	B	1217	1102	0.19	0.91	0.75	0.86
21	B	952	862	107.33	14.76	0.75	0.86
22	B	832	754	306.46	0.13	0.75	0.86
23	B	356	322	25.48	0.25	0.75	0.86
24	B	255	231	112.01	0.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.309	0.581	0.014
C2	-0.309	-0.581	0.014
N3	-0.309	1.845	-0.094
N4	0.309	-1.845	-0.094
H5	1.387	0.623	0.016
H6	-1.387	-0.623	0.016
H7	-1.305	1.784	-0.052
H8	1.305	-1.784	-0.052
H9	0.005	2.477	0.612
H10	-0.005	-2.477	0.612

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3164	1.4110	2.4282	1.0786	2.0800	2.0141	2.5673	2.0109	3.1318
C2	1.3164		2.4282	1.4110	2.0800	1.0786	2.5673	2.0141	3.1318	2.0109
N3	1.4110	2.4282		3.7409	2.0933	2.6949	0.9981	3.9720	0.9986	4.3895
N4	2.4282	1.4110	3.7409		2.6949	2.0933	3.9720	0.9981	4.3895	0.9986
H5	1.0786	2.0800	2.0933	2.6949		3.0408	2.9323	2.4097	2.3877	3.4500
H6	2.0800	1.0786	2.6949	2.0933	3.0408		2.4097	2.9323	3.4500	2.3877
H7	2.0141	2.5673	0.9981	3.9720	2.9323	2.4097		4.4210	1.6237	4.5043
H8	2.5673	2.0141	3.9720	0.9981	2.4097	2.9323	4.4210		4.5043	1.6237
H9	2.0109	3.1318	0.9986	4.3895	2.3877	3.4500	1.6237	4.5043		4.9540
H10	3.1318	2.0109	4.3895	0.9986	3.4500	2.3877	4.5043	1.6237	4.9540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.786	C1	C2	H6	120.234
C1	N3	H7	112.318	C1	N3	H9	111.996
C2	C1	N3	125.786	C2	C1	H5	120.234
C2	N4	H8	112.318	C2	N4	H10	111.996
N3	C1	H5	113.790	N4	C2	H6	113.790
H7	N3	H9	108.817	H8	N4	H10	108.817

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HF/6-31G(2df,p)

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	-0.037
2	C	-0.037
3	N	-0.631
4	N	-0.631
5	H	0.126
6	H	0.126
7	H	0.271
8	H	0.271
9	H	0.271
10	H	0.271

	x	y	z	Total
	0.000	0.000	2.277	2.277
CHELPG
AIM
ESP

	x	y	z
x	5.053	0.302	0.000
y	0.302	7.780	0.000
z	0.000	0.000	3.109

<r²>	96.632
(<r²>)^1/2	9.830

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)