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	hartrees
Energy at 0K	-189.237165
Energy at 298.15K
HF Energy	-189.237165
Nuclear repulsion energy	117.974281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3639	3488	0.34
2	A	3544	3397	0.91
3	A	3158	3027	0.02
4	A	1791	1717	0.00
5	A	1699	1629	32.19
6	A	1346	1290	0.56
7	A	1303	1249	0.11
8	A	1053	1009	0.66
9	A	938	899	77.19
10	A	832	798	158.38
11	A	555	532	1.94
12	A	336	322	0.75
13	A	255	245	20.91
14	B	3638	3488	0.79
15	B	3542	3396	0.74
16	B	3161	3030	62.95
17	B	1709	1639	64.89
18	B	1408	1350	8.95
19	B	1202	1152	100.04
20	B	1143	1095	1.00
21	B	818	784	169.80
22	B	759	727	298.73
23	B	347	333	48.81
24	B	247	237	106.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.310	0.590	0.040
C2	-0.310	-0.590	0.040
N3	-0.310	1.844	-0.111
N4	0.310	-1.844	-0.111
H5	1.396	0.634	0.039
H6	-1.396	-0.634	0.039
H7	-1.317	1.779	-0.079
H8	1.317	-1.779	-0.079
H9	-0.001	2.513	0.581
H10	0.001	-2.513	0.581

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3326	1.4067	2.4388	1.0871	2.0993	2.0183	2.5773	2.0211	3.1643
C2	1.3326		2.4388	1.4067	2.0993	1.0871	2.5773	2.0183	3.1643	2.0211
N3	1.4067	2.4388		3.7397	2.0961	2.7103	1.0099	3.9717	1.0103	4.4221
N4	2.4388	1.4067	3.7397		2.7103	2.0961	3.9717	1.0099	4.4221	1.0103
H5	1.0871	2.0993	2.0961	2.7103		3.0663	2.9466	2.4179	2.4025	3.4843
H6	2.0993	1.0871	2.7103	2.0961	3.0663		2.4179	2.9466	3.4843	2.4025
H7	2.0183	2.5773	1.0099	3.9717	2.9466	2.4179		4.4271	1.6442	4.5379
H8	2.5773	2.0183	3.9717	1.0099	2.4179	2.9466	4.4271		4.5379	1.6442
H9	2.0211	3.1643	1.0103	4.4221	2.4025	3.4843	1.6442	4.5379		5.0250
H10	3.1643	2.0211	4.4221	1.0103	3.4843	2.4025	4.5379	1.6442	5.0250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.804	C1	C2	H6	120.024
C1	N3	H7	112.231	C1	N3	H9	112.452
C2	C1	N3	125.804	C2	C1	H5	120.024
C2	N4	H8	112.231	C2	N4	H10	112.452
N3	C1	H5	113.778	N4	C2	H6	113.778
H7	N3	H9	108.951	H8	N4	H10	108.951

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B1B95/6-311G*

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	-0.083
2	C	-0.083
3	N	-0.765
4	N	-0.765
5	H	0.199
6	H	0.199
7	H	0.326
8	H	0.326
9	H	0.323
10	H	0.323

	x	y	z	Total
	0.000	0.000	2.319	2.319
CHELPG
AIM
ESP

	x	y	z
x	5.320	0.166	0.000
y	0.166	8.603	0.000
z	0.000	0.000	3.255

<r²>	97.114
(<r²>)^1/2	9.855

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)