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	hartrees
Energy at 0K	-189.248156
Energy at 298.15K
HF Energy	-189.248156
Nuclear repulsion energy	117.794013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3658	3658	1.66
2	A	3562	3562	2.56
3	A	3176	3176	0.05
4	A	1801	1801	0.13
5	A	1654	1654	21.67
6	A	1345	1345	0.64
7	A	1300	1300	0.03
8	A	1052	1052	0.82
9	A	954	954	48.81
10	A	821	821	138.01
11	A	566	566	1.01
12	A	339	339	0.74
13	A	256	256	15.95
14	B	3658	3658	4.92
15	B	3561	3561	1.38
16	B	3177	3177	48.67
17	B	1662	1662	50.17
18	B	1400	1400	8.39
19	B	1203	1203	95.98
20	B	1134	1134	0.93
21	B	835	835	96.34
22	B	750	750	324.79
23	B	354	354	34.64
24	B	262	262	96.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.588	0.028
C2	-0.311	-0.588	0.028
N3	-0.311	1.848	-0.106
N4	0.311	-1.848	-0.106
H5	1.399	0.633	0.030
H6	-1.399	-0.633	0.030
H7	-1.319	1.783	-0.036
H8	1.319	-1.783	-0.036
H9	0.020	2.512	0.581
H10	-0.020	-2.512	0.581

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3316	1.4114	2.4400	1.0884	2.1019	2.0219	2.5772	2.0228	3.1670
C2	1.3316		2.4400	1.4114	2.1019	1.0884	2.5772	2.0219	3.1670	2.0228
N3	1.4114	2.4400		3.7476	2.1021	2.7123	1.0118	3.9804	1.0117	4.4236
N4	2.4400	1.4114	3.7476		2.7123	2.1021	3.9804	1.0118	4.4236	1.0117
H5	1.0884	2.1019	2.1021	2.7123		3.0711	2.9516	2.4184	2.3952	3.4943
H6	2.1019	1.0884	2.7123	2.1021	3.0711		2.4184	2.9516	3.4943	2.3952
H7	2.0219	2.5772	1.0118	3.9804	2.9516	2.4184		4.4352	1.6443	4.5297
H8	2.5772	2.0219	3.9804	1.0118	2.4184	2.9516	4.4352		4.5297	1.6443
H9	2.0228	3.1670	1.0117	4.4236	2.3952	3.4943	1.6443	4.5297		5.0250
H10	3.1670	2.0228	4.4236	1.0117	3.4943	2.3952	4.5297	1.6443	5.0250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.604	C1	C2	H6	120.247
C1	N3	H7	112.054	C1	N3	H9	112.140
C2	C1	N3	125.604	C2	C1	H5	120.247
C2	N4	H8	112.054	C2	N4	H10	112.140
N3	C1	H5	113.853	N4	C2	H6	113.853
H7	N3	H9	108.702	H8	N4	H10	108.702

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: wB97X-D/6-31G(2df,p)

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	-0.053
2	C	-0.053
3	N	-0.570
4	N	-0.570
5	H	0.106
6	H	0.106
7	H	0.257
8	H	0.257
9	H	0.260
10	H	0.260

	x	y	z	Total
	0.000	0.000	2.167	2.167
CHELPG
AIM
ESP

	x	y	z
x	5.323	0.115	0.000
y	0.115	8.452	0.000
z	0.000	0.000	3.162

<r²>	97.097
(<r²>)^1/2	9.854

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)