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	hartrees
Energy at 0K	-189.287252
Energy at 298.15K
HF Energy	-189.287252
Nuclear repulsion energy	117.239807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3574	3432	0.14
2	A	3476	3338	0.72
3	A	3155	3029	0.12
4	A	1775	1704	0.07
5	A	1678	1611	25.73
6	A	1349	1296	0.75
7	A	1297	1246	0.00
8	A	1049	1007	1.33
9	A	945	907	54.23
10	A	844	810	150.50
11	A	556	534	1.05
12	A	336	323	0.00
13	A	255	245	19.56
14	B	3573	3431	1.20
15	B	3474	3336	1.56
16	B	3157	3032	56.72
17	B	1686	1619	43.69
18	B	1410	1354	9.35
19	B	1187	1140	79.89
20	B	1142	1097	1.01
21	B	812	780	237.27
22	B	767	736	234.71
23	B	354	340	51.08
24	B	259	249	95.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.593	0.038
C2	-0.312	-0.593	0.038
N3	-0.312	1.856	-0.113
N4	0.312	-1.856	-0.113
H5	1.401	0.641	0.039
H6	-1.401	-0.641	0.039
H7	-1.326	1.786	-0.063
H8	1.326	-1.786	-0.063
H9	-0.002	2.524	0.589
H10	0.002	-2.524	0.589

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3406	1.4170	2.4537	1.0902	2.1122	2.0290	2.5880	2.0329	3.1809
C2	1.3406		2.4537	1.4170	2.1122	1.0902	2.5880	2.0290	3.1809	2.0329
N3	1.4170	2.4537		3.7641	2.1060	2.7289	1.0170	3.9939	1.0177	4.4473
N4	2.4537	1.4170	3.7641		2.7289	2.1060	3.9939	1.0170	4.4473	1.0177
H5	1.0902	2.1122	2.1060	2.7289		3.0826	2.9594	2.4310	2.4119	3.5047
H6	2.1122	1.0902	2.7289	2.1060	3.0826		2.4310	2.9594	3.5047	2.4119
H7	2.0290	2.5880	1.0170	3.9939	2.9594	2.4310		4.4488	1.6499	4.5572
H8	2.5880	2.0290	3.9939	1.0170	2.4310	2.9594	4.4488		4.5572	1.6499
H9	2.0329	3.1809	1.0177	4.4473	2.4119	3.5047	1.6499	4.5572		5.0486
H10	3.1809	2.0329	4.4473	1.0177	3.5047	2.4119	4.5572	1.6499	5.0486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.668	C1	C2	H6	120.323
C1	N3	H7	111.896	C1	N3	H9	112.181
C2	C1	N3	125.668	C2	C1	H5	120.323
C2	N4	H8	111.896	C2	N4	H10	112.181
N3	C1	H5	113.642	N4	C2	H6	113.642
H7	N3	H9	108.360	H8	N4	H10	108.360

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B3LYP/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	-0.002
2	C	-0.002
3	N	-0.725
4	N	-0.725
5	H	0.115
6	H	0.115
7	H	0.305
8	H	0.305
9	H	0.307
10	H	0.307

	x	y	z	Total
	0.000	0.000	2.383	2.383
CHELPG
AIM
ESP

	x	y	z
x	5.141	0.098	0.000
y	0.098	8.477	0.000
z	0.000	0.000	2.656

<r²>	98.046
(<r²>)^1/2	9.902

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)