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	hartrees
Energy at 0K	-188.100897
Energy at 298.15K
HF Energy	-188.100897
Nuclear repulsion energy	118.399015

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	3854	3479	1.47	110.27	0.73	0.85
2	A	3754	3388	4.02	232.38	0.05	0.09
3	A	3318	2995	0.05	145.55	0.31	0.47
4	A	1936	1748	0.05	55.68	0.22	0.35
5	A	1789	1615	29.14	7.78	0.74	0.85
6	A	1456	1314	0.78	19.88	0.38	0.55
7	A	1382	1247	0.01	17.05	0.65	0.79
8	A	1118	1009	0.15	8.96	0.42	0.59
9	A	1061	957	62.11	0.44	0.51	0.67
10	A	888	802	184.32	5.13	0.33	0.49
11	A	594	537	1.50	7.35	0.36	0.52
12	A	333	301	1.02	4.33	0.62	0.76
13	A	259	234	20.15	2.12	0.75	0.86
14	B	3854	3479	5.63	36.93	0.75	0.86
15	B	3753	3388	1.30	57.52	0.75	0.86
16	B	3319	2995	59.43	0.05	0.75	0.86
17	B	1800	1624	64.89	6.45	0.75	0.86
18	B	1515	1367	7.90	0.88	0.75	0.86
19	B	1244	1123	110.68	0.41	0.75	0.86
20	B	1220	1101	0.14	1.23	0.75	0.86
21	B	940	849	104.71	20.26	0.75	0.86
22	B	816	736	347.36	0.27	0.75	0.86
23	B	355	320	23.36	0.37	0.75	0.86
24	B	241	217	135.73	0.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.310	0.582	0.016
C2	-0.310	-0.582	0.016
N3	-0.310	1.845	-0.093
N4	0.310	-1.845	-0.093
H5	1.388	0.625	0.018
H6	-1.388	-0.625	0.018
H7	-1.307	1.787	-0.080
H8	1.307	-1.787	-0.080
H9	-0.008	2.479	0.618
H10	0.008	-2.479	0.618

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3197	1.4106	2.4297	1.0786	2.0832	2.0187	2.5727	2.0148	3.1344
C2	1.3197		2.4297	1.4106	2.0832	1.0786	2.5727	2.0187	3.1344	2.0148
N3	1.4106	2.4297		3.7413	2.0937	2.6966	0.9987	3.9757	0.9994	4.3931
N4	2.4297	1.4106	3.7413		2.6966	2.0937	3.9757	0.9987	4.3931	0.9994
H5	1.0786	2.0832	2.0937	2.6966		3.0438	2.9365	2.4152	2.3973	3.4487
H6	2.0832	1.0786	2.6966	2.0937	3.0438		2.4152	2.9365	3.4487	2.3973
H7	2.0187	2.5727	0.9987	3.9757	2.9365	2.4152		4.4282	1.6287	4.5184
H8	2.5727	2.0187	3.9757	0.9987	2.4152	2.9365	4.4282		4.5184	1.6287
H9	2.0148	3.1344	0.9994	4.3931	2.3973	3.4487	1.6287	4.5184		4.9574
H10	3.1344	2.0148	4.3931	0.9994	3.4487	2.3973	4.5184	1.6287	4.9574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.693	C1	C2	H6	120.262
C1	N3	H7	112.721	C1	N3	H9	112.328
C2	C1	N3	125.693	C2	C1	H5	120.262
C2	N4	H8	112.721	C2	N4	H10	112.328
N3	C1	H5	113.854	N4	C2	H6	113.854
H7	N3	H9	109.201	H8	N4	H10	109.201

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HF/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	0.044
2	C	0.044
3	N	-0.713
4	N	-0.713
5	H	0.121
6	H	0.121
7	H	0.274
8	H	0.274
9	H	0.274
10	H	0.274

	x	y	z	Total
	0.000	0.000	2.470	2.470
CHELPG
AIM
ESP

	x	y	z
x	4.881	0.378	0.000
y	0.378	7.607	0.000
z	0.000	0.000	2.639

<r²>	96.852
(<r²>)^1/2	9.841

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

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

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)