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	hartrees
Energy at 0K	-189.091854
Energy at 298.15K
HF Energy	-189.091854
Nuclear repulsion energy	116.633336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3505	3505	1.19
2	A	3404	3404	0.09
3	A	3077	3077	0.10
4	A	1699	1699	0.62
5	A	1571	1571	16.37
6	A	1281	1281	0.38
7	A	1242	1242	0.01
8	A	1004	1004	0.14
9	A	881	881	67.32
10	A	757	757	115.44
11	A	537	537	1.66
12	A	322	322	2.67
13	A	238	238	16.19
14	B	3504	3504	4.01
15	B	3401	3401	1.27
16	B	3081	3081	48.39
17	B	1578	1578	44.54
18	B	1336	1336	11.54
19	B	1157	1157	116.08
20	B	1083	1083	1.62
21	B	765	765	62.02
22	B	703	703	287.80
23	B	341	341	39.32
24	B	247	247	81.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.599	0.046
C2	-0.315	-0.599	0.046
N3	-0.315	1.860	-0.118
N4	0.315	-1.860	-0.118
H5	1.415	0.646	0.049
H6	-1.415	-0.646	0.049
H7	-1.335	1.798	-0.051
H8	1.335	-1.798	-0.051
H9	0.016	2.557	0.555
H10	-0.016	-2.557	0.555

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3534	1.4190	2.4642	1.1012	2.1315	2.0416	2.6064	2.0451	3.2139
C2	1.3534		2.4642	1.4190	2.1315	1.1012	2.6064	2.0416	3.2139	2.0451
N3	1.4190	2.4642		3.7726	2.1200	2.7419	1.0241	4.0129	1.0241	4.4778
N4	2.4642	1.4190	3.7726		2.7419	2.1200	4.0129	1.0241	4.4778	1.0241
H5	1.1012	2.1315	2.1200	2.7419		3.1113	2.9831	2.4471	2.4217	3.5446
H6	2.1315	1.1012	2.7419	2.1200	3.1113		2.4471	2.9831	3.5446	2.4217
H7	2.0416	2.6064	1.0241	4.0129	2.9831	2.4471		4.4782	1.6641	4.5901
H8	2.6064	2.0416	4.0129	1.0241	2.4471	2.9831	4.4782		4.5901	1.6641
H9	2.0451	3.2139	1.0241	4.4778	2.4217	3.5446	1.6641	4.5901		5.1140
H10	3.2139	2.0451	4.4778	1.0241	3.5446	2.4217	4.5901	1.6641	5.1140

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.442	C1	C2	H6	120.192
C1	N3	H7	112.370	C1	N3	H9	112.671
C2	C1	N3	125.442	C2	C1	H5	120.192
C2	N4	H8	112.370	C2	N4	H10	112.671
N3	C1	H5	113.941	N4	C2	H6	113.941
H7	N3	H9	108.675	H8	N4	H10	108.675

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBEPBEultrafine/daug-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	0.526
2	C	0.526
3	N	0.375
4	N	0.375
5	H	-0.868
6	H	-0.868
7	H	-0.058
8	H	-0.058
9	H	0.026
10	H	0.026

	x	y	z	Total
	0.000	0.000	1.935	1.935
CHELPG
AIM
ESP

	x	y	z
x	6.804	-0.178	0.000
y	-0.178	11.103	0.000
z	0.000	0.000	5.662

<r²>	99.517
(<r²>)^1/2	9.976

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBEPBEultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)