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	hartrees
Energy at 0K	-189.243622
Energy at 298.15K
HF Energy	-189.243622
Nuclear repulsion energy	117.395585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3625	3453	1.40
2	A	3530	3362	2.75
3	A	3170	3019	0.01
4	A	1801	1716	0.30
5	A	1637	1559	20.08
6	A	1333	1270	0.52
7	A	1297	1236	0.00
8	A	1056	1006	0.35
9	A	937	893	63.32
10	A	838	799	118.36
11	A	563	537	0.78
12	A	330	315	1.40
13	A	256	244	15.28
14	B	3624	3452	3.12
15	B	3528	3361	0.27
16	B	3169	3019	49.32
17	B	1646	1568	43.61
18	B	1389	1323	10.80
19	B	1207	1150	110.72
20	B	1135	1081	0.55
21	B	826	787	160.99
22	B	762	726	256.44
23	B	351	335	34.91
24	B	258	246	103.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.592	0.028
C2	-0.312	-0.592	0.028
N3	-0.312	1.853	-0.110
N4	0.312	-1.853	-0.110
H5	1.408	0.635	0.029
H6	-1.408	-0.635	0.029
H7	-1.324	1.779	-0.028
H8	1.324	-1.779	-0.028
H9	0.010	2.508	0.600
H10	-0.010	-2.508	0.600

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3390	1.4133	2.4490	1.0964	2.1128	2.0222	2.5792	2.0221	3.1694
C2	1.3390		2.4490	1.4133	2.1128	1.0964	2.5792	2.0222	3.1694	2.0221
N3	1.4133	2.4490		3.7578	2.1117	2.7221	1.0182	3.9845	1.0186	4.4288
N4	2.4490	1.4133	3.7578		2.7221	2.1117	3.9845	1.0182	4.4288	1.0186
H5	1.0964	2.1128	2.1117	2.7221		3.0886	2.9623	2.4165	2.4055	3.4954
H6	2.1128	1.0964	2.7221	2.1117	3.0886		2.4165	2.9623	3.4954	2.4055
H7	2.0222	2.5792	1.0182	3.9845	2.9623	2.4165		4.4360	1.6453	4.5281
H8	2.5792	2.0222	3.9845	1.0182	2.4165	2.9623	4.4360		4.5281	1.6453
H9	2.0221	3.1694	1.0186	4.4288	2.4055	3.4954	1.6453	4.5281		5.0167
H10	3.1694	2.0221	4.4288	1.0186	3.4954	2.4055	4.5281	1.6453	5.0167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.679	C1	C2	H6	120.018
C1	N3	H7	111.512	C1	N3	H9	111.475
C2	C1	N3	125.679	C2	C1	H5	120.018
C2	N4	H8	111.512	C2	N4	H10	111.475
N3	C1	H5	113.990	N4	C2	H6	113.990
H7	N3	H9	107.758	H8	N4	H10	107.758

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: wB97X-D/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	-0.038
2	C	-0.038
3	N	-0.166
4	N	-0.166
5	H	0.012
6	H	0.012
7	H	0.088
8	H	0.088
9	H	0.104
10	H	0.104

	x	y	z	Total
	0.000	0.000	2.228	2.228
CHELPG
AIM
ESP

	x	y	z
x	5.332	0.176	0.000
y	0.176	8.452	0.000
z	0.000	0.000	2.981

<r²>	97.583
(<r²>)^1/2	9.878

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)