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	hartrees
Energy at 0K	-188.185606
Energy at 298.15K
HF Energy	-188.185606
Nuclear repulsion energy	117.316572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3671	3479	2.99
2	A	3560	3374	2.22
3	A	3192	3026	0.10
4	A	1782	1689	0.83
5	A	1717	1627	13.43
6	A	1372	1300	1.57
7	A	1296	1228	0.04
8	A	1028	975	0.45
9	A	963	913	90.98
10	A	579	548	47.22
11	A	529	502	367.19
12	A	338	321	27.82
13	A	240	227	18.66
14	B	3670	3479	8.81
15	B	3557	3372	13.60
16	B	3196	3029	48.74
17	B	1719	1629	88.18
18	B	1418	1344	2.57
19	B	1198	1135	139.90
20	B	1134	1075	6.42
21	B	836	793	20.91
22	B	464	440	273.48
23	B	339	321	14.96
24	B	147	139	279.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.591	0.037
C2	-0.313	-0.591	0.037
N3	-0.313	1.849	-0.082
N4	0.313	-1.849	-0.082
H5	1.399	0.630	0.045
H6	-1.399	-0.630	0.045
H7	-1.321	1.854	-0.182
H8	1.321	-1.854	-0.182
H9	0.057	2.600	0.488
H10	-0.057	-2.600	0.488

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3380	1.4100	2.4432	1.0870	2.1033	2.0761	2.6533	2.0745	3.2439
C2	1.3380		2.4432	1.4100	2.1033	1.0870	2.6533	2.0761	3.2439	2.0745
N3	1.4100	2.4432		3.7507	2.1058	2.7096	1.0126	4.0482	1.0123	4.4925
N4	2.4432	1.4100	3.7507		2.7096	2.1058	4.0482	1.0126	4.4925	1.0123
H5	1.0870	2.1033	2.1058	2.7096		3.0692	2.9911	2.4951	2.4247	3.5703
H6	2.1033	1.0870	2.7096	2.1058	3.0692		2.4951	2.9911	3.5703	2.4247
H7	2.0761	2.6533	1.0126	4.0482	2.9911	2.4951		4.5518	1.7035	4.6775
H8	2.6533	2.0761	4.0482	1.0126	2.4951	2.9911	4.5518		4.6775	1.7035
H9	2.0745	3.2439	1.0123	4.4925	2.4247	3.5703	1.7035	4.6775		5.2009
H10	3.2439	2.0745	4.4925	1.0123	3.5703	2.4247	4.6775	1.7035	5.2009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.490	C1	C2	H6	119.943
C1	N3	H7	117.009	C1	N3	H9	116.874
C2	C1	N3	125.490	C2	C1	H5	119.943
C2	N4	H8	117.009	C2	N4	H10	116.874
N3	C1	H5	114.367	N4	C2	H6	114.367
H7	N3	H9	114.550	H8	N4	H10	114.550

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: wB97X-D/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	-0.025
2	C	-0.025
3	N	-0.775
4	N	-0.775
5	H	0.198
6	H	0.198
7	H	0.301
8	H	0.301
9	H	0.301
10	H	0.301

	x	y	z	Total
	0.000	0.000	1.927	1.927
CHELPG
AIM
ESP

	x	y	z
x	4.570	0.223	0.000
y	0.223	7.909	0.000
z	0.000	0.000	1.684

<r²>	97.894
(<r²>)^1/2	9.894

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)