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	hartrees
Energy at 0K	-189.258885
Energy at 298.15K
HF Energy	-189.258885
Nuclear repulsion energy	117.707588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3637	3637	2.22
2	A	3543	3543	3.26
3	A	3152	3152	0.00
4	A	1785	1785	0.16
5	A	1646	1646	25.99
6	A	1340	1340	0.64
7	A	1289	1289	0.02
8	A	1049	1049	0.08
9	A	950	950	80.19
10	A	819	819	148.19
11	A	560	560	1.38
12	A	336	336	0.82
13	A	258	258	18.06
14	B	3637	3637	7.39
15	B	3541	3541	3.38
16	B	3155	3155	40.13
17	B	1655	1655	62.96
18	B	1393	1393	8.26
19	B	1194	1194	109.71
20	B	1134	1134	0.67
21	B	839	839	92.12
22	B	751	751	335.26
23	B	347	347	36.44
24	B	257	257	101.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.588	0.031
C2	-0.313	-0.588	0.031
N3	-0.313	1.849	-0.107
N4	0.313	-1.849	-0.107
H5	1.399	0.628	0.031
H6	-1.399	-0.628	0.031
H7	-1.322	1.777	-0.061
H8	1.322	-1.777	-0.061
H9	0.003	2.511	0.591
H10	-0.003	-2.511	0.591

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3324	1.4138	2.4410	1.0872	2.0996	2.0232	2.5736	2.0265	3.1655
C2	1.3324		2.4410	1.4138	2.0996	1.0872	2.5736	2.0232	3.1655	2.0265
N3	1.4138	2.4410		3.7500	2.1072	2.7078	1.0127	3.9777	1.0127	4.4264
N4	2.4410	1.4138	3.7500		2.7078	2.1072	3.9777	1.0127	4.4264	1.0127
H5	1.0872	2.0996	2.1072	2.7078		3.0669	2.9552	2.4080	2.4106	3.4830
H6	2.0996	1.0872	2.7078	2.1072	3.0669		2.4080	2.9552	3.4830	2.4106
H7	2.0232	2.5736	1.0127	3.9777	2.9552	2.4080		4.4299	1.6485	4.5340
H8	2.5736	2.0232	3.9777	1.0127	2.4080	2.9552	4.4299		4.5340	1.6485
H9	2.0265	3.1655	1.0127	4.4264	2.4106	3.4830	1.6485	4.5340		5.0227
H10	3.1655	2.0265	4.4264	1.0127	3.4830	2.4106	4.5340	1.6485	5.0227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.435	C1	C2	H6	120.056
C1	N3	H7	111.925	C1	N3	H9	112.214
C2	C1	N3	125.435	C2	C1	H5	120.056
C2	N4	H8	111.925	C2	N4	H10	112.214
N3	C1	H5	114.187	N4	C2	H6	114.187
H7	N3	H9	108.960	H8	N4	H10	108.960

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: M06-2X/6-311G**

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	-0.059
2	C	-0.059
3	N	-0.501
4	N	-0.501
5	H	0.127
6	H	0.127
7	H	0.213
8	H	0.213
9	H	0.220
10	H	0.220

	x	y	z	Total
	0.000	0.000	2.271	2.271
CHELPG
AIM
ESP

	x	y	z
x	5.349	0.195	0.000
y	0.195	8.531	0.000
z	0.000	0.000	3.378

<r²>	97.538
(<r²>)^1/2	9.876

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: M06-2X/6-311G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)