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	hartrees
Energy at 0K	-189.090807
Energy at 298.15K
HF Energy	-189.090807
Nuclear repulsion energy	116.617349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3507	3486	1.32
2	A	3405	3385	0.06
3	A	3077	3058	0.10
4	A	1699	1689	0.68
5	A	1569	1560	16.19
6	A	1280	1272	0.49
7	A	1242	1234	0.00
8	A	1004	998	0.14
9	A	880	875	68.68
10	A	756	751	117.13
11	A	537	534	1.80
12	A	325	323	2.73
13	A	238	237	16.61
14	B	3506	3485	4.06
15	B	3403	3382	1.27
16	B	3081	3062	48.42
17	B	1576	1567	44.83
18	B	1335	1327	11.64
19	B	1158	1151	116.81
20	B	1082	1075	1.69
21	B	764	760	62.97
22	B	701	697	290.00
23	B	342	340	40.60
24	B	249	247	82.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.599	0.047
C2	-0.315	-0.599	0.047
N3	-0.315	1.860	-0.118
N4	0.315	-1.860	-0.118
H5	1.416	0.646	0.049
H6	-1.416	-0.646	0.049
H7	-1.335	1.799	-0.054
H8	1.335	-1.799	-0.054
H9	0.017	2.558	0.554
H10	-0.017	-2.558	0.554

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3535	1.4189	2.4647	1.1020	2.1321	2.0425	2.6082	2.0455	3.2150
C2	1.3535		2.4647	1.4189	2.1321	1.1020	2.6082	2.0425	3.2150	2.0455
N3	1.4189	2.4647		3.7729	2.1202	2.7427	1.0241	4.0143	1.0242	4.4790
N4	2.4647	1.4189	3.7729		2.7427	2.1202	4.0143	1.0241	4.4790	1.0242
H5	1.1020	2.1321	2.1202	2.7427		3.1127	2.9843	2.4491	2.4222	3.5463
H6	2.1321	1.1020	2.7427	2.1202	3.1127		2.4491	2.9843	3.5463	2.4222
H7	2.0425	2.6082	1.0241	4.0143	2.9843	2.4491		4.4806	1.6653	4.5928
H8	2.6082	2.0425	4.0143	1.0241	2.4491	2.9843	4.4806		4.5928	1.6653
H9	2.0455	3.2150	1.0242	4.4790	2.4222	3.5463	1.6653	4.5928		5.1165
H10	3.2150	2.0455	4.4790	1.0242	3.5463	2.4222	4.5928	1.6653	5.1165

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.481	C1	C2	H6	120.173
C1	N3	H7	112.449	C1	N3	H9	112.709
C2	C1	N3	125.481	C2	C1	H5	120.173
C2	N4	H8	112.449	C2	N4	H10	112.709
N3	C1	H5	113.911	N4	C2	H6	113.911
H7	N3	H9	108.784	H8	N4	H10	108.784

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBEPBE/aug-cc-pVDZ

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	0.876
2	C	0.876
3	N	-0.220
4	N	-0.220
5	H	-0.565
6	H	-0.565
7	H	-0.048
8	H	-0.048
9	H	-0.043
10	H	-0.043

	x	y	z	Total
	0.000	0.000	1.928	1.928
CHELPG
AIM
ESP

	x	y	z
x	6.690	-0.114	0.000
y	-0.114	10.931	0.000
z	0.000	0.000	5.555

<r²>	99.538
(<r²>)^1/2	9.977

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)