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	hartrees
Energy at 0K	-189.065516
Energy at 298.15K
HF Energy	-189.065516
Nuclear repulsion energy	116.588656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3473	3453	0.27
2	A	3374	3354	0.54
3	A	3064	3046	0.03
4	A	1713	1703	0.50
5	A	1570	1561	16.78
6	A	1277	1270	0.53
7	A	1256	1248	0.01
8	A	1018	1012	0.58
9	A	884	879	63.83
10	A	811	806	94.84
11	A	541	538	0.84
12	A	336	334	0.55
13	A	250	248	17.27
14	B	3471	3451	1.37
15	B	3371	3351	5.25
16	B	3066	3048	53.59
17	B	1577	1568	31.09
18	B	1338	1330	13.84
19	B	1176	1169	84.49
20	B	1093	1086	1.04
21	B	765	761	292.81
22	B	735	730	125.93
23	B	355	353	51.70
24	B	254	253	73.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.313	0.601	0.045
C2	-0.313	-0.601	0.045
N3	-0.313	1.862	-0.124
N4	0.313	-1.862	-0.124
H5	1.417	0.646	0.050
H6	-1.417	-0.646	0.050
H7	-1.335	1.784	-0.038
H8	1.335	-1.784	-0.038
H9	0.003	2.538	0.586
H10	-0.003	-2.538	0.586

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3547	1.4175	2.4683	1.1054	2.1324	2.0297	2.5955	2.0346	3.2004
C2	1.3547		2.4683	1.4175	2.1324	1.1054	2.5955	2.0297	3.2004	2.0346
N3	1.4175	2.4683		3.7756	2.1216	2.7456	1.0287	4.0012	1.0295	4.4669
N4	2.4683	1.4175	3.7756		2.7456	2.1216	4.0012	1.0287	4.4669	1.0295
H5	1.1054	2.1324	2.1216	2.7456		3.1149	2.9792	2.4324	2.4217	3.5269
H6	2.1324	1.1054	2.7456	2.1216	3.1149		2.4324	2.9792	3.5269	2.4217
H7	2.0297	2.5955	1.0287	4.0012	2.9792	2.4324		4.4554	1.6575	4.5644
H8	2.5955	2.0297	4.0012	1.0287	2.4324	2.9792	4.4554		4.5644	1.6575
H9	2.0346	3.2004	1.0295	4.4669	2.4217	3.5269	1.6575	4.5644		5.0753
H10	3.2004	2.0346	4.4669	1.0295	3.5269	2.4217	4.5644	1.6575	5.0753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.823	C1	C2	H6	119.829
C1	N3	H7	111.151	C1	N3	H9	111.509
C2	C1	N3	125.823	C2	C1	H5	119.829
C2	N4	H8	111.151	C2	N4	H10	111.509
N3	C1	H5	113.908	N4	C2	H6	113.908
H7	N3	H9	107.287	H8	N4	H10	107.287

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBEPBEultrafine/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	-0.045
2	C	-0.045
3	N	-0.112
4	N	-0.112
5	H	-0.008
6	H	-0.008
7	H	0.075
8	H	0.075
9	H	0.091
10	H	0.091

	x	y	z	Total
	0.000	0.000	2.056	2.056
CHELPG
AIM
ESP

	x	y	z
x	5.636	-0.009	0.000
y	-0.009	9.176	0.000
z	0.000	0.000	3.084

<r²>	98.678
(<r²>)^1/2	9.934

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)