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	hartrees
Energy at 0K	-189.065528
Energy at 298.15K
HF Energy	-189.065528
Nuclear repulsion energy	116.588773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3472	3452	0.28
2	A	3373	3353	0.54
3	A	3064	3046	0.03
4	A	1713	1703	0.50
5	A	1571	1562	16.76
6	A	1278	1270	0.53
7	A	1256	1248	0.01
8	A	1018	1012	0.57
9	A	885	880	64.05
10	A	812	807	94.68
11	A	542	539	0.82
12	A	338	336	0.50
13	A	251	249	17.19
14	B	3470	3450	1.38
15	B	3370	3350	5.23
16	B	3066	3048	53.56
17	B	1578	1569	31.13
18	B	1338	1331	13.77
19	B	1176	1169	84.49
20	B	1093	1087	1.05
21	B	766	761	299.03
22	B	736	731	120.13
23	B	356	354	52.37
24	B	256	255	72.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.601	0.045
C2	-0.313	-0.601	0.045
N3	-0.313	1.862	-0.124
N4	0.313	-1.862	-0.124
H5	1.417	0.646	0.050
H6	-1.417	-0.646	0.050
H7	-1.335	1.783	-0.038
H8	1.335	-1.783	-0.038
H9	0.003	2.537	0.586
H10	-0.003	-2.537	0.586

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3548	1.4175	2.4683	1.1054	2.1324	2.0297	2.5953	2.0346	3.2003
C2	1.3548		2.4683	1.4175	2.1324	1.1054	2.5953	2.0297	3.2003	2.0346
N3	1.4175	2.4683		3.7756	2.1216	2.7456	1.0287	4.0010	1.0295	4.4668
N4	2.4683	1.4175	3.7756		2.7456	2.1216	4.0010	1.0287	4.4668	1.0295
H5	1.1054	2.1324	2.1216	2.7456		3.1150	2.9791	2.4322	2.4218	3.5267
H6	2.1324	1.1054	2.7456	2.1216	3.1150		2.4322	2.9791	3.5267	2.4218
H7	2.0297	2.5953	1.0287	4.0010	2.9791	2.4322		4.4551	1.6575	4.5642
H8	2.5953	2.0297	4.0010	1.0287	2.4322	2.9791	4.4551		4.5642	1.6575
H9	2.0346	3.2003	1.0295	4.4668	2.4218	3.5267	1.6575	4.5642		5.0749
H10	3.2003	2.0346	4.4668	1.0295	3.5267	2.4218	4.5642	1.6575	5.0749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.819	C1	C2	H6	119.835
C1	N3	H7	111.144	C1	N3	H9	111.508
C2	C1	N3	125.819	C2	C1	H5	119.835
C2	N4	H8	111.144	C2	N4	H10	111.508
N3	C1	H5	113.908	N4	C2	H6	113.908
H7	N3	H9	107.286	H8	N4	H10	107.286

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBEPBE/cc-pVDZ

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	-0.045
2	C	-0.045
3	N	-0.112
4	N	-0.112
5	H	-0.008
6	H	-0.008
7	H	0.075
8	H	0.075
9	H	0.091
10	H	0.091

	x	y	z	Total
	0.000	0.000	2.056	2.056
CHELPG
AIM
ESP

	x	y	z
x	5.636	-0.009	0.000
y	-0.009	9.176	0.000
z	0.000	0.000	3.084

<r²>	98.677
(<r²>)^1/2	9.934

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)