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	hartrees
Energy at 0K	-188.127219
Energy at 298.15K
HF Energy	-188.127219
Nuclear repulsion energy	116.427707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3493	3493	0.22
2	A	3375	3375	0.11
3	A	3092	3092	0.14
4	A	1695	1695	0.45
5	A	1676	1676	15.46
6	A	1331	1331	1.79
7	A	1264	1264	0.06
8	A	1006	1006	1.12
9	A	911	911	81.26
10	A	617	617	274.51
11	A	550	550	2.90
12	A	356	356	0.37
13	A	243	243	26.76
14	B	3492	3492	1.50
15	B	3372	3372	0.45
16	B	3097	3097	62.64
17	B	1681	1681	49.16
18	B	1384	1384	2.65
19	B	1151	1151	70.60
20	B	1125	1125	10.01
21	B	760	760	15.90
22	B	544	544	411.49
23	B	349	349	49.67
24	B	226	226	183.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.598	0.050
C2	-0.315	-0.598	0.050
N3	-0.315	1.863	-0.105
N4	0.315	-1.863	-0.105
H5	1.407	0.639	0.059
H6	-1.407	-0.639	0.059
H7	-1.337	1.828	-0.160
H8	1.337	-1.828	-0.160
H9	0.014	2.594	0.533
H10	-0.014	-2.594	0.533

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3518	1.4223	2.4659	1.0926	2.1208	2.0706	2.6408	2.0752	3.2445
C2	1.3518		2.4659	1.4223	2.1208	1.0926	2.6408	2.0706	3.2445	2.0752
N3	1.4223	2.4659		3.7794	2.1192	2.7354	1.0233	4.0447	1.0242	4.5122
N4	2.4659	1.4223	3.7794		2.7354	2.1192	4.0447	1.0233	4.5122	1.0242
H5	1.0926	2.1208	2.1192	2.7354		3.0912	2.9982	2.4787	2.4459	3.5634
H6	2.1208	1.0926	2.7354	2.1192	3.0912		2.4787	2.9982	3.5634	2.4459
H7	2.0706	2.6408	1.0233	4.0447	2.9982	2.4787		4.5296	1.7003	4.6672
H8	2.6408	2.0706	4.0447	1.0233	2.4787	2.9982	4.5296		4.6672	1.7003
H9	2.0752	3.2445	1.0242	4.5122	2.4459	3.5634	1.7003	4.6672		5.1873
H10	3.2445	2.0752	4.5122	1.0242	3.5634	2.4459	4.6672	1.7003	5.1873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.458	C1	C2	H6	119.991
C1	N3	H7	114.718	C1	N3	H9	115.078
C2	C1	N3	125.458	C2	C1	H5	119.991
C2	N4	H8	114.718	C2	N4	H10	115.078
N3	C1	H5	114.206	N4	C2	H6	114.206
H7	N3	H9	112.289	H8	N4	H10	112.289

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: B97D3/3-21G*

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	-0.033
2	C	-0.033
3	N	-0.709
4	N	-0.709
5	H	0.178
6	H	0.178
7	H	0.283
8	H	0.283
9	H	0.282
10	H	0.282

	x	y	z	Total
	0.000	0.000	2.138	2.138
CHELPG
AIM
ESP

	x	y	z
x	4.787	0.031	0.000
y	0.031	8.518	0.000
z	0.000	0.000	1.867

<r²>	99.028
(<r²>)^1/2	9.951

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: B97D3/3-21G*

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)