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	hartrees
Energy at 0K	-189.296286
Energy at 298.15K
HF Energy	-189.296286
Nuclear repulsion energy	116.719239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3472	3461	0.49
2	A	3381	3371	0.02
3	A	3053	3044	0.03
4	A	1677	1672	0.12
5	A	1602	1597	17.32
6	A	1302	1298	0.68
7	A	1242	1239	0.02
8	A	1002	999	1.21
9	A	894	891	70.51
10	A	786	784	116.01
11	A	537	536	0.77
12	A	327	326	1.38
13	A	241	240	15.91
14	B	3471	3460	1.48
15	B	3379	3369	1.84
16	B	3059	3050	52.09
17	B	1607	1602	36.17
18	B	1359	1355	8.79
19	B	1125	1121	79.32
20	B	1104	1100	3.28
21	B	772	769	114.34
22	B	726	724	309.39
23	B	347	346	37.67
24	B	251	250	81.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.595	0.044
C2	-0.313	-0.595	0.044
N3	-0.313	1.864	-0.117
N4	0.313	-1.864	-0.117
H5	1.404	0.643	0.049
H6	-1.404	-0.643	0.049
H7	-1.329	1.805	-0.053
H8	1.329	-1.805	-0.053
H9	0.017	2.552	0.559
H10	-0.017	-2.552	0.559

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3456	1.4245	2.4648	1.0918	2.1174	2.0426	2.6085	2.0449	3.2064
C2	1.3456		2.4648	1.4245	2.1174	1.0918	2.6085	2.0426	3.2064	2.0449
N3	1.4245	2.4648		3.7807	2.1141	2.7391	1.0198	4.0209	1.0202	4.4777
N4	2.4648	1.4245	3.7807		2.7391	2.1141	4.0209	1.0198	4.4777	1.0202
H5	1.0918	2.1174	2.1141	2.7391		3.0887	2.9722	2.4513	2.4143	3.5341
H6	2.1174	1.0918	2.7391	2.1141	3.0887		2.4513	2.9722	3.5341	2.4143
H7	2.0426	2.6085	1.0198	4.0209	2.9722	2.4513		4.4839	1.6573	4.5915
H8	2.6085	2.0426	4.0209	1.0198	2.4513	2.9722	4.4839		4.5915	1.6573
H9	2.0449	3.2064	1.0202	4.4777	2.4143	3.5341	1.6573	4.5915		5.1044
H10	3.2064	2.0449	4.4777	1.0202	3.5341	2.4143	4.5915	1.6573	5.1044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.675	C1	C2	H6	120.263
C1	N3	H7	112.314	C1	N3	H9	112.487
C2	C1	N3	125.675	C2	C1	H5	120.263
C2	N4	H8	112.314	C2	N4	H10	112.487
N3	C1	H5	113.658	N4	C2	H6	113.658
H7	N3	H9	108.661	H8	N4	H10	108.661

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: BLYP/cc-pVTZ

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	-0.076
2	C	-0.076
3	N	-0.250
4	N	-0.250
5	H	0.074
6	H	0.074
7	H	0.123
8	H	0.123
9	H	0.130
10	H	0.130

	x	y	z	Total
	0.000	0.000	1.947	1.947
CHELPG
AIM
ESP

	x	y	z
x	6.073	-0.024	0.000
y	-0.024	9.840	0.000
z	0.000	0.000	4.132

<r²>	99.294
(<r²>)^1/2	9.965

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)