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	hartrees
Energy at 0K	-189.250623
Energy at 298.15K
HF Energy	-189.250623
Nuclear repulsion energy	116.191982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3472	3472	0.78
2	A	3376	3376	0.29
3	A	3067	3067	0.09
4	A	1675	1675	0.42
5	A	1581	1581	15.82
6	A	1290	1290	0.39
7	A	1232	1232	0.00
8	A	994	994	0.13
9	A	884	884	66.44
10	A	752	752	118.14
11	A	534	534	1.15
12	A	314	314	2.76
13	A	236	236	14.90
14	B	3472	3472	2.91
15	B	3374	3374	1.48
16	B	3072	3072	48.60
17	B	1587	1587	39.93
18	B	1344	1344	9.35
19	B	1123	1123	111.18
20	B	1089	1089	3.68
21	B	765	765	51.99
22	B	702	702	300.56
23	B	338	338	32.36
24	B	245	245	84.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.316	0.599	0.045
C2	-0.316	-0.599	0.045
N3	-0.316	1.870	-0.117
N4	0.316	-1.870	-0.117
H5	1.415	0.650	0.048
H6	-1.415	-0.650	0.048
H7	-1.337	1.815	-0.047
H8	1.337	-1.815	-0.047
H9	0.023	2.570	0.550
H10	-0.023	-2.570	0.550

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3551	1.4286	2.4741	1.0995	2.1346	2.0541	2.6222	2.0555	3.2268
C2	1.3551		2.4741	1.4286	2.1346	1.0995	2.6222	2.0541	3.2268	2.0555
N3	1.4286	2.4741		3.7926	2.1242	2.7534	1.0243	4.0389	1.0245	4.4989
N4	2.4741	1.4286	3.7926		2.7534	2.1242	4.0389	1.0243	4.4989	1.0245
H5	1.0995	2.1346	2.1242	2.7534		3.1136	2.9895	2.4674	2.4241	3.5614
H6	2.1346	1.0995	2.7534	2.1242	3.1136		2.4674	2.9895	3.5614	2.4241
H7	2.0541	2.6222	1.0243	4.0389	2.9895	2.4674		4.5078	1.6659	4.6158
H8	2.6222	2.0541	4.0389	1.0243	2.4674	2.9895	4.5078		4.6158	1.6659
H9	2.0555	3.2268	1.0245	4.4989	2.4241	3.5614	1.6659	4.6158		5.1396
H10	3.2268	2.0555	4.4989	1.0245	3.5614	2.4241	4.6158	1.6659	5.1396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.422	C1	C2	H6	120.482
C1	N3	H7	112.690	C1	N3	H9	112.803
C2	C1	N3	125.422	C2	C1	H5	120.482
C2	N4	H8	112.690	C2	N4	H10	112.803
N3	C1	H5	113.692	N4	C2	H6	113.692
H7	N3	H9	108.801	H8	N4	H10	108.801

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: BLYP/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	0.564
2	C	0.564
3	N	0.738
4	N	0.738
5	H	-1.077
6	H	-1.077
7	H	-0.163
8	H	-0.163
9	H	-0.062
10	H	-0.062

	x	y	z	Total
	0.000	0.000	1.938	1.938
CHELPG
AIM
ESP

	x	y	z
x	6.860	-0.171	0.000
y	-0.171	11.257	0.000
z	0.000	0.000	5.742

<r²>	100.509
(<r²>)^1/2	10.025

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: BLYP/daug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)