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	hartrees
Energy at 0K	-188.169586
Energy at 298.15K
HF Energy	-188.169586
Nuclear repulsion energy	118.574117

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	3829	3464	3.37	77.04	0.74	0.85
2	A	3740	3383	1.00	247.54	0.04	0.08
3	A	3292	2978	0.01	141.90	0.30	0.46
4	A	1902	1720	0.16	97.75	0.11	0.20
5	A	1779	1609	22.10	4.94	0.51	0.68
6	A	1450	1311	0.62	29.37	0.25	0.40
7	A	1372	1241	0.02	13.03	0.53	0.70
8	A	1105	999	0.86	11.54	0.10	0.19
9	A	1048	948	77.13	0.80	0.37	0.54
10	A	859	777	139.89	3.50	0.31	0.47
11	A	590	533	1.77	8.43	0.17	0.29
12	A	333	301	5.22	1.96	0.32	0.49
13	A	254	229	13.44	0.45	0.75	0.86
14	B	3829	3464	13.98	28.16	0.75	0.86
15	B	3739	3382	10.09	45.38	0.75	0.86
16	B	3294	2980	47.14	0.00	0.75	0.86
17	B	1789	1618	61.23	2.14	0.75	0.86
18	B	1508	1364	8.00	0.23	0.75	0.86
19	B	1225	1108	136.16	0.04	0.75	0.86
20	B	1216	1100	1.37	0.78	0.75	0.86
21	B	946	856	67.31	14.10	0.75	0.86
22	B	800	724	287.83	0.09	0.75	0.86
23	B	352	318	17.84	0.16	0.75	0.86
24	B	244	221	120.63	0.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.310	0.581	0.017
C2	-0.310	-0.581	0.017
N3	-0.310	1.842	-0.093
N4	0.310	-1.842	-0.093
H5	1.385	0.621	0.019
H6	-1.385	-0.621	0.019
H7	-1.304	1.793	-0.065
H8	1.304	-1.793	-0.065
H9	0.011	2.489	0.593
H10	-0.011	-2.489	0.593

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3166	1.4091	2.4248	1.0762	2.0781	2.0205	2.5751	2.0158	3.1401
C2	1.3166		2.4248	1.4091	2.0781	1.0762	2.5751	2.0205	3.1401	2.0158
N3	1.4091	2.4248		3.7349	2.0917	2.6896	0.9962	3.9771	0.9965	4.3950
N4	2.4248	1.4091	3.7349		2.6896	2.0917	3.9771	0.9962	4.3950	0.9965
H5	1.0762	2.0781	2.0917	2.6896		3.0364	2.9352	2.4171	2.3893	3.4575
H6	2.0781	1.0762	2.6896	2.0917	3.0364		2.4171	2.9352	3.4575	2.3893
H7	2.0205	2.5751	0.9962	3.9771	2.9352	2.4171		4.4348	1.6275	4.5217
H8	2.5751	2.0205	3.9771	0.9962	2.4171	2.9352	4.4348		4.5217	1.6275
H9	2.0158	3.1401	0.9965	4.3950	2.3893	3.4575	1.6275	4.5217		4.9787
H10	3.1401	2.0158	4.3950	0.9965	3.4575	2.3893	4.5217	1.6275	4.9787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.614	C1	C2	H6	120.234
C1	N3	H7	113.170	C1	N3	H9	112.726
C2	C1	N3	125.614	C2	C1	H5	120.234
C2	N4	H8	113.170	C2	N4	H10	112.726
N3	C1	H5	113.956	N4	C2	H6	113.956
H7	N3	H9	109.519	H8	N4	H10	109.519

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HF/daug-cc-pVTZ

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	-0.493
2	C	-0.493
3	N	-0.496
4	N	-0.496
5	H	0.721
6	H	0.721
7	H	0.069
8	H	0.069
9	H	0.199
10	H	0.199

	x	y	z	Total
	0.000	0.000	2.154	2.154
CHELPG
AIM
ESP

	x	y	z
x	5.836	0.253	0.000
y	0.253	8.962	0.000
z	0.000	0.000	4.890

<r²>	97.010
(<r²>)^1/2	9.849

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)