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	hartrees
Energy at 0K	-188.019606
Energy at 298.15K
HF Energy	-188.019606
Nuclear repulsion energy	117.267257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3628	3485	2.17
2	A	3514	3375	1.73
3	A	3169	3044	0.15
4	A	1765	1695	0.74
5	A	1707	1640	14.69
6	A	1360	1306	1.87
7	A	1294	1243	0.01
8	A	1030	989	0.46
9	A	957	919	88.81
10	A	587	564	221.03
11	A	554	533	145.88
12	A	355	341	6.29
13	A	249	239	27.80
14	B	3628	3484	5.42
15	B	3511	3372	5.89
16	B	3175	3049	49.73
17	B	1710	1642	75.19
18	B	1409	1353	3.03
19	B	1199	1152	114.95
20	B	1135	1090	5.01
21	B	823	790	21.12
22	B	503	483	340.85
23	B	340	326	30.31
24	B	193	185	242.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.593	0.043
C2	-0.313	-0.593	0.043
N3	-0.313	1.849	-0.091
N4	0.313	-1.849	-0.091
H5	1.401	0.630	0.052
H6	-1.401	-0.630	0.052
H7	-1.324	1.838	-0.187
H8	1.324	-1.838	-0.187
H9	0.032	2.590	0.513
H10	-0.032	-2.590	0.513

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3410	1.4090	2.4455	1.0888	2.1054	2.0688	2.6428	2.0707	3.2363
C2	1.3410		2.4455	1.4090	2.1054	1.0888	2.6428	2.0688	3.2363	2.0707
N3	1.4090	2.4455		3.7500	2.1072	2.7111	1.0159	4.0345	1.0161	4.4885
N4	2.4455	1.4090	3.7500		2.7111	2.1072	4.0345	1.0159	4.4885	1.0161
H5	1.0888	2.1054	2.1072	2.7111		3.0720	2.9897	2.4808	2.4344	3.5548
H6	2.1054	1.0888	2.7111	2.1072	3.0720		2.4808	2.9897	3.5548	2.4344
H7	2.0688	2.6428	1.0159	4.0345	2.9897	2.4808		4.5298	1.7013	4.6653
H8	2.6428	2.0688	4.0345	1.0159	2.4808	2.9897	4.5298		4.6653	1.7013
H9	2.0707	3.2363	1.0161	4.4885	2.4344	3.5548	1.7013	4.6653		5.1807
H10	3.2363	2.0707	4.4885	1.0161	3.5548	2.4344	4.6653	1.7013	5.1807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.551	C1	C2	H6	119.747
C1	N3	H7	116.169	C1	N3	H9	116.335
C2	C1	N3	125.551	C2	C1	H5	119.747
C2	N4	H8	116.169	C2	N4	H10	116.335
N3	C1	H5	114.450	N4	C2	H6	114.450
H7	N3	H9	113.705	H8	N4	H10	113.705

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBE1PBE/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	-0.034
2	C	-0.034
3	N	-0.770
4	N	-0.770
5	H	0.202
6	H	0.202
7	H	0.301
8	H	0.301
9	H	0.301
10	H	0.301

	x	y	z	Total
	0.000	0.000	2.014	2.014
CHELPG
AIM
ESP

	x	y	z
x	4.625	0.151	0.000
y	0.151	8.074	0.000
z	0.000	0.000	1.768

<r²>	97.934
(<r²>)^1/2	9.896

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBE1PBE/3-21G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)