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	hartrees
Energy at 0K	-189.264434
Energy at 298.15K
HF Energy	-189.264434
Nuclear repulsion energy	117.423418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3649	3493	2.79
2	A	3550	3398	0.34
3	A	3178	3042	0.06
4	A	1787	1711	0.55
5	A	1633	1563	18.94
6	A	1334	1277	0.45
7	A	1284	1230	0.00
8	A	1043	999	0.05
9	A	933	893	71.76
10	A	781	747	130.69
11	A	560	536	2.01
12	A	326	312	3.80
13	A	244	233	15.11
14	B	3649	3493	9.18
15	B	3548	3397	5.14
16	B	3180	3044	46.37
17	B	1642	1572	58.39
18	B	1385	1326	8.86
19	B	1191	1140	136.55
20	B	1124	1076	1.56
21	B	827	792	60.32
22	B	723	692	289.95
23	B	344	330	24.76
24	B	250	239	108.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.314	0.591	0.032
C2	-0.314	-0.591	0.032
N3	-0.314	1.851	-0.106
N4	0.314	-1.851	-0.106
H5	1.406	0.636	0.032
H6	-1.406	-0.636	0.032
H7	-1.325	1.792	-0.053
H8	1.325	-1.792	-0.053
H9	0.016	2.528	0.573
H10	-0.016	-2.528	0.573

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3380	1.4143	2.4456	1.0935	2.1125	2.0336	2.5902	2.0329	3.1824
C2	1.3380		2.4456	1.4143	2.1125	1.0935	2.5902	2.0336	3.1824	2.0329
N3	1.4143	2.4456		3.7545	2.1104	2.7195	1.0143	3.9950	1.0142	4.4408
N4	2.4456	1.4143	3.7545		2.7195	2.1104	3.9950	1.0143	4.4408	1.0142
H5	1.0935	2.1125	2.1104	2.7195		3.0865	2.9672	2.4308	2.4092	3.5106
H6	2.1125	1.0935	2.7195	2.1104	3.0865		2.4308	2.9672	3.5106	2.4092
H7	2.0336	2.5902	1.0143	3.9950	2.9672	2.4308		4.4577	1.6528	4.5570
H8	2.5902	2.0336	3.9950	1.0143	2.4308	2.9672	4.4577		4.5570	1.6528
H9	2.0329	3.1824	1.0142	4.4408	2.4092	3.5106	1.6528	4.5570		5.0553
H10	3.1824	2.0329	4.4408	1.0142	3.5106	2.4092	4.5570	1.6528	5.0553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.371	C1	C2	H6	120.314
C1	N3	H7	112.686	C1	N3	H9	112.636
C2	C1	N3	125.371	C2	C1	H5	120.314
C2	N4	H8	112.686	C2	N4	H10	112.636
N3	C1	H5	113.998	N4	C2	H6	113.998
H7	N3	H9	109.127	H8	N4	H10	109.127

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: wB97X-D/aug-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	0.818
2	C	0.818
3	N	-0.240
4	N	-0.240
5	H	-0.503
6	H	-0.503
7	H	-0.042
8	H	-0.042
9	H	-0.032
10	H	-0.032

	x	y	z	Total
	0.000	0.000	2.072	2.072
CHELPG
AIM
ESP

	x	y	z
x	6.266	0.083	0.000
y	0.083	9.945	0.000
z	0.000	0.000	5.263

<r²>	98.254
(<r²>)^1/2	9.912

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)