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	hartrees
Energy at 0K	-34.637656
Energy at 298.15K
HF Energy	-34.637656
Nuclear repulsion energy	65.746231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3809	3809	3.12
2	A	3666	3666	0.79
3	A	3194	3194	0.01
4	A	1778	1778	3.85
5	A	1678	1678	6.46
6	A	1334	1334	0.34
7	A	1277	1277	2.05
8	A	995	995	0.33
9	A	938	938	128.16
10	A	554	554	14.61
11	A	379	379	516.79
12	A	336	336	103.78
13	A	202	202	35.21
14	B	3810	3810	12.05
15	B	3664	3664	20.97
16	B	3196	3196	83.83
17	B	1684	1684	146.59
18	B	1380	1380	10.19
19	B	1219	1219	235.88
20	B	1074	1074	4.77
21	B	819	819	20.13
22	B	334	334	175.34
23	B	308	308	16.48
24	B	155	155	174.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.605	0.048
C2	-0.325	-0.605	0.048
N3	-0.325	1.868	-0.069
N4	0.325	-1.868	-0.069
H5	1.418	0.655	0.056
H6	-1.418	-0.655	0.056
H7	-1.322	1.902	-0.240
H8	1.322	-1.902	-0.240
H9	0.090	2.674	0.378
H10	-0.090	-2.674	0.378

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3738	1.4256	2.4756	1.0940	2.1512	2.1166	2.7131	2.1086	3.3217
C2	1.3738		2.4756	1.4256	2.1512	1.0940	2.7131	2.1166	3.3217	2.1086
N3	1.4256	2.4756		3.7921	2.1276	2.7524	1.0121	4.1177	1.0112	4.5701
N4	2.4756	1.4256	3.7921		2.7524	2.1276	4.1177	1.0121	4.5701	1.0112
H5	1.0940	2.1512	2.1276	2.7524		3.1244	3.0253	2.5758	2.4383	3.6690
H6	2.1512	1.0940	2.7524	2.1276	3.1244		2.5758	3.0253	3.6690	2.4383
H7	2.1166	2.7131	1.0121	4.1177	3.0253	2.5758		4.6329	1.7241	4.7793
H8	2.7131	2.1166	4.1177	1.0121	2.5758	3.0253	4.6329		4.7793	1.7241
H9	2.1086	3.3217	1.0112	4.5701	2.4383	3.6690	1.7241	4.7793		5.3513
H10	3.3217	2.1086	4.5701	1.0112	3.6690	2.4383	4.7793	1.7241	5.3513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	124.337	C1	C2	H6	120.899
C1	N3	H7	119.553	C1	N3	H9	118.861
C2	C1	N3	124.337	C2	C1	H5	120.899
C2	N4	H8	119.553	C2	N4	H10	118.861
N3	C1	H5	114.580	N4	C2	H6	114.580
H7	N3	H9	116.893	H8	N4	H10	116.893

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: wB97X-D/CEP-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	-0.276
2	C	-0.276
3	N	-0.510
4	N	-0.510
5	H	0.220
6	H	0.220
7	H	0.285
8	H	0.285
9	H	0.281
10	H	0.281

	x	y	z	Total
	0.000	0.000	1.299	1.299
CHELPG
AIM
ESP

	x	y	z
x	4.749	0.433	0.000
y	0.433	8.539	0.000
z	0.000	0.000	2.834

<r²>	84.210
(<r²>)^1/2	9.177

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: wB97X-D/CEP-31G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)