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	hartrees
Energy at 0K	-189.281801
Energy at 298.15K
HF Energy	-189.281801
Nuclear repulsion energy	117.565384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3641	3641	2.11
2	A	3541	3541	0.15
3	A	3174	3174	0.06
4	A	1777	1777	0.57
5	A	1632	1632	18.62
6	A	1331	1331	0.38
7	A	1286	1286	0.01
8	A	1038	1038	0.02
9	A	934	934	68.16
10	A	782	782	128.23
11	A	554	554	2.00
12	A	325	325	3.85
13	A	244	244	14.94
14	B	3641	3641	8.40
15	B	3539	3539	3.14
16	B	3178	3178	45.28
17	B	1640	1640	53.98
18	B	1387	1387	10.62
19	B	1194	1194	130.65
20	B	1121	1121	1.20
21	B	821	821	57.96
22	B	725	725	291.91
23	B	342	342	33.37
24	B	247	247	95.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.592	0.035
C2	-0.313	-0.592	0.035
N3	-0.313	1.848	-0.109
N4	0.313	-1.848	-0.109
H5	1.404	0.636	0.036
H6	-1.404	-0.636	0.036
H7	-1.322	1.790	-0.044
H8	1.322	-1.790	-0.044
H9	0.022	2.531	0.562
H10	-0.022	-2.531	0.562

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3398	1.4101	2.4446	1.0920	2.1111	2.0284	2.5888	2.0295	3.1848
C2	1.3398		2.4446	1.4101	2.1111	1.0920	2.5888	2.0284	3.1848	2.0295
N3	1.4101	2.4446		3.7486	2.1062	2.7172	1.0134	3.9892	1.0135	4.4391
N4	2.4446	1.4101	3.7486		2.7172	2.1062	3.9892	1.0134	4.4391	1.0135
H5	1.0920	2.1111	2.1062	2.7172		3.0827	2.9615	2.4291	2.4031	3.5126
H6	2.1111	1.0920	2.7172	2.1062	3.0827		2.4291	2.9615	3.5126	2.4031
H7	2.0284	2.5888	1.0134	3.9892	2.9615	2.4291		4.4512	1.6498	4.5526
H8	2.5888	2.0284	3.9892	1.0134	2.4291	2.9615	4.4512		4.5526	1.6498
H9	2.0295	3.1848	1.0135	4.4391	2.4031	3.5126	1.6498	4.5526		5.0613
H10	3.1848	2.0295	4.4391	1.0135	3.5126	2.4031	4.5526	1.6498	5.0613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.469	C1	C2	H6	120.139
C1	N3	H7	112.618	C1	N3	H9	112.706
C2	C1	N3	125.469	C2	C1	H5	120.139
C2	N4	H8	112.618	C2	N4	H10	112.706
N3	C1	H5	114.054	N4	C2	H6	114.054
H7	N3	H9	108.965	H8	N4	H10	108.965

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: mPW1PW91/daug-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	0.428
2	C	0.428
3	N	0.318
4	N	0.318
5	H	-0.726
6	H	-0.726
7	H	-0.053
8	H	-0.053
9	H	0.032
10	H	0.032

	x	y	z	Total
	0.000	0.000	2.028	2.028
CHELPG
AIM
ESP

	x	y	z
x	6.345	-0.021	0.000
y	-0.021	10.195	0.000
z	0.000	0.000	5.296

<r²>	98.064
(<r²>)^1/2	9.903

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: mPW1PW91/daug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)