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	hartrees
Energy at 0K	-188.147626
Energy at 298.15K
HF Energy	-188.147626
Nuclear repulsion energy	117.113091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3653	3502	3.40
2	A	3540	3394	2.70
3	A	3152	3022	0.11
4	A	1776	1703	0.73
5	A	1705	1634	14.30
6	A	1368	1311	1.76
7	A	1289	1236	0.01
8	A	1029	987	0.00
9	A	977	937	84.55
10	A	580	556	126.67
11	A	550	527	271.07
12	A	345	331	16.58
13	A	263	252	20.73
14	B	3653	3502	10.46
15	B	3538	3391	15.00
16	B	3158	3028	35.90
17	B	1708	1637	81.92
18	B	1413	1355	3.70
19	B	1194	1144	124.12
20	B	1134	1087	5.45
21	B	850	815	20.47
22	B	491	471	281.73
23	B	337	323	23.10
24	B	178	170	270.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.314	0.590	0.037
C2	-0.314	-0.590	0.037
N3	-0.314	1.852	-0.084
N4	0.314	-1.852	-0.084
H5	1.400	0.627	0.046
H6	-1.400	-0.627	0.046
H7	-1.325	1.848	-0.190
H8	1.325	-1.848	-0.190
H9	0.038	2.596	0.511
H10	-0.038	-2.596	0.511

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3374	1.4150	2.4453	1.0866	2.1030	2.0788	2.6492	2.0799	3.2409
C2	1.3374		2.4453	1.4150	2.1030	1.0866	2.6492	2.0788	3.2409	2.0799
N3	1.4150	2.4453		3.7570	2.1111	2.7099	1.0164	4.0483	1.0163	4.4966
N4	2.4453	1.4150	3.7570		2.7099	2.1111	4.0483	1.0164	4.4966	1.0163
H5	1.0866	2.1030	2.1111	2.7099		3.0688	2.9957	2.4876	2.4392	3.5606
H6	2.1030	1.0866	2.7099	2.1111	3.0688		2.4876	2.9957	3.5606	2.4392
H7	2.0788	2.6492	1.0164	4.0483	2.9957	2.4876		4.5480	1.7059	4.6799
H8	2.6492	2.0788	4.0483	1.0164	2.4876	2.9957	4.5480		4.6799	1.7059
H9	2.0799	3.2409	1.0163	4.4966	2.4392	3.5606	1.7059	4.6799		5.1935
H10	3.2409	2.0799	4.4966	1.0163	3.5606	2.4392	4.6799	1.7059	5.1935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.326	C1	C2	H6	119.994
C1	N3	H7	116.567	C1	N3	H9	116.674
C2	C1	N3	125.326	C2	C1	H5	119.994
C2	N4	H8	116.567	C2	N4	H10	116.674
N3	C1	H5	114.475	N4	C2	H6	114.475
H7	N3	H9	114.125	H8	N4	H10	114.125

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: M06-2X/3-21G

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	-0.020
2	C	-0.020
3	N	-0.757
4	N	-0.757
5	H	0.190
6	H	0.190
7	H	0.293
8	H	0.293
9	H	0.294
10	H	0.294

	x	y	z	Total
	0.000	0.000	1.998	1.998
CHELPG
AIM
ESP

	x	y	z
x	4.593	0.200	0.000
y	0.200	7.879	0.000
z	0.000	0.000	1.719

<r²>	98.338
(<r²>)^1/2	9.917

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: M06-2X/3-21G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)