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	hartrees
Energy at 0K	-189.251507
Energy at 298.15K
HF Energy	-189.251507
Nuclear repulsion energy	117.548211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3683	3508	3.26
2	A	3578	3407	1.57
3	A	3190	3038	0.06
4	A	1794	1708	0.96
5	A	1662	1582	26.97
6	A	1345	1281	0.47
7	A	1290	1228	0.13
8	A	1047	997	0.10
9	A	934	889	81.11
10	A	774	738	185.33
11	A	562	535	3.29
12	A	326	310	3.99
13	A	243	231	20.11
14	B	3683	3507	11.45
15	B	3576	3405	5.85
16	B	3191	3039	52.45
17	B	1670	1591	78.73
18	B	1396	1329	7.13
19	B	1197	1139	147.09
20	B	1128	1074	2.05
21	B	818	779	67.79
22	B	714	680	330.03
23	B	343	327	24.34
24	B	244	232	128.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.314	0.590	0.035
C2	-0.314	-0.590	0.035
N3	-0.314	1.849	-0.104
N4	0.314	-1.849	-0.104
H5	1.401	0.637	0.034
H6	-1.401	-0.637	0.034
H7	-1.324	1.797	-0.079
H8	1.324	-1.797	-0.079
H9	0.011	2.532	0.568
H10	-0.011	-2.532	0.568

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3371	1.4127	2.4429	1.0888	2.1090	2.0375	2.5948	2.0358	3.1840
C2	1.3371		2.4429	1.4127	2.1090	1.0888	2.5948	2.0375	3.1840	2.0358
N3	1.4127	2.4429		3.7499	2.1044	2.7166	1.0124	3.9965	1.0121	4.4419
N4	2.4429	1.4127	3.7499		2.7166	2.1044	3.9965	1.0124	4.4419	1.0121
H5	1.0888	2.1090	2.1044	2.7166		3.0788	2.9645	2.4375	2.4099	3.5103
H6	2.1090	1.0888	2.7166	2.1044	3.0788		2.4375	2.9645	3.5103	2.4099
H7	2.0375	2.5948	1.0124	3.9965	2.9645	2.4375		4.4642	1.6564	4.5693
H8	2.5948	2.0375	3.9965	1.0124	2.4375	2.9645	4.4642		4.5693	1.6564
H9	2.0358	3.1840	1.0121	4.4419	2.4099	3.5103	1.6564	4.5693		5.0635
H10	3.1840	2.0358	4.4419	1.0121	3.5103	2.4099	4.5693	1.6564	5.0635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.319	C1	C2	H6	120.432
C1	N3	H7	113.285	C1	N3	H9	113.153
C2	C1	N3	125.319	C2	C1	H5	120.432
C2	N4	H8	113.285	C2	N4	H10	113.153
N3	C1	H5	113.922	N4	C2	H6	113.922
H7	N3	H9	109.802	H8	N4	H10	109.802

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: wB97X-D/6-31+G**

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	-0.107
2	C	-0.107
3	N	-0.612
4	N	-0.612
5	H	0.133
6	H	0.133
7	H	0.290
8	H	0.290
9	H	0.296
10	H	0.296

	x	y	z	Total
	0.000	0.000	2.255	2.255
CHELPG
AIM
ESP

	x	y	z
x	5.618	0.293	0.000
y	0.293	9.246	0.000
z	0.000	0.000	4.567

<r²>	98.109
(<r²>)^1/2	9.905

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)