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	hartrees
Energy at 0K	-186.848300
Energy at 298.15K
HF Energy	-186.848300
Nuclear repulsion energy	115.735552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3811	3811	0.04
2	A	3620	3620	3.60
3	A	3520	3520	0.03
4	A	1956	1956	0.00
5	A	1826	1826	15.92
6	A	1429	1429	1.66
7	A	1390	1390	0.40
8	A	1117	1117	0.41
9	A	1062	1062	32.85
10	A	883	883	82.90
11	A	561	561	0.08
12	A	319	319	0.18
13	A	272	272	7.70
14	B	3811	3811	1.53
15	B	3617	3617	1.01
16	B	3509	3509	32.21
17	B	1831	1831	8.37
18	B	1500	1500	12.60
19	B	1289	1289	25.82
20	B	1212	1212	0.26
21	B	864	864	51.23
22	B	808	808	373.99
23	B	353	353	62.05
24	B	271	271	55.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.322	0.585	0.015
C2	-0.322	-0.585	0.015
N3	-0.322	1.879	-0.119
N4	0.322	-1.879	-0.119
H5	1.416	0.628	0.009
H6	-1.416	-0.628	0.009
H7	-1.335	1.773	0.132
H8	1.335	-1.773	0.132
H9	0.083	2.533	0.596
H10	-0.083	-2.533	0.596

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3358	1.4518	2.4681	1.0947	2.1195	2.0418	2.5690	2.0467	3.1976
C2	1.3358		2.4681	1.4518	2.1195	1.0947	2.5690	2.0418	3.1976	2.0467
N3	1.4518	2.4681		3.8134	2.1453	2.7385	1.0485	4.0182	1.0495	4.4763
N4	2.4681	1.4518	3.8134		2.7385	2.1453	4.0182	1.0485	4.4763	1.0495
H5	1.0947	2.1195	2.1453	2.7385		3.0979	2.9818	2.4056	2.3982	3.5473
H6	2.1195	1.0947	2.7385	2.1453	3.0979		2.4056	2.9818	3.5473	2.3982
H7	2.0418	2.5690	1.0485	4.0182	2.9818	2.4056		4.4382	1.6737	4.5084
H8	2.5690	2.0418	4.0182	1.0485	2.4056	2.9818	4.4382		4.5084	1.6737
H9	2.0467	3.1976	1.0495	4.4763	2.3982	3.5473	1.6737	4.5084		5.0691
H10	3.1976	2.0467	4.4763	1.0495	3.5473	2.3982	4.5084	1.6737	5.0691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	124.547	C1	C2	H6	121.071
C1	N3	H7	108.419	C1	N3	H9	108.757
C2	C1	N3	124.547	C2	C1	H5	121.071
C2	N4	H8	108.419	C2	N4	H10	108.757
N3	C1	H5	114.067	N4	C2	H6	114.067
H7	N3	H9	105.835	H8	N4	H10	105.835

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: M06-2X/STO-3G

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	-0.034
2	C	-0.034
3	N	-0.370
4	N	-0.370
5	H	0.068
6	H	0.068
7	H	0.168
8	H	0.168
9	H	0.168
10	H	0.168

	x	y	z	Total
	0.000	0.000	2.874	2.874
CHELPG
AIM
ESP

	x	y	z
x	3.200	0.128	0.000
y	0.128	5.799	0.000
z	0.000	0.000	0.900

<r²>	98.744
(<r²>)^1/2	9.937

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: M06-2X/STO-3G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)