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	hartrees
Energy at 0K	-189.131519
Energy at 298.15K
HF Energy	-189.131519
Nuclear repulsion energy	117.100787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3505	3480	0.93
2	A	3410	3386	0.17
3	A	3059	3038	0.03
4	A	1696	1685	0.35
5	A	1587	1576	17.90
6	A	1289	1280	0.62
7	A	1249	1240	0.00
8	A	1008	1001	0.83
9	A	885	879	69.67
10	A	782	777	117.92
11	A	539	536	1.27
12	A	331	329	1.85
13	A	240	238	17.00
14	B	3504	3479	2.17
15	B	3407	3384	0.95
16	B	3064	3043	50.40
17	B	1593	1582	40.98
18	B	1347	1337	10.60
19	B	1156	1148	90.98
20	B	1092	1085	1.30
21	B	768	763	118.02
22	B	718	713	296.49
23	B	347	345	42.41
24	B	247	245	80.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	0.596	0.045
C2	-0.312	-0.596	0.045
N3	-0.312	1.855	-0.118
N4	0.312	-1.855	-0.118
H5	1.406	0.640	0.050
H6	-1.406	-0.640	0.050
H7	-1.328	1.790	-0.052
H8	1.328	-1.790	-0.052
H9	0.015	2.543	0.560
H10	-0.015	-2.543	0.560

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3451	1.4152	2.4559	1.0948	2.1165	2.0315	2.5945	2.0360	3.1974
C2	1.3451		2.4559	1.4152	2.1165	1.0948	2.5945	2.0315	3.1974	2.0360
N3	1.4152	2.4559		3.7619	2.1115	2.7290	1.0200	3.9974	1.0202	4.4598
N4	2.4559	1.4152	3.7619		2.7290	2.1115	3.9974	1.0200	4.4598	1.0202
H5	1.0948	2.1165	2.1115	2.7290		3.0899	2.9682	2.4329	2.4120	3.5230
H6	2.1165	1.0948	2.7290	2.1115	3.0899		2.4329	2.9682	3.5230	2.4120
H7	2.0315	2.5945	1.0200	3.9974	2.9682	2.4329		4.4576	1.6574	4.5687
H8	2.5945	2.0315	3.9974	1.0200	2.4329	2.9682	4.4576		4.5687	1.6574
H9	2.0360	3.1974	1.0202	4.4598	2.4120	3.5230	1.6574	4.5687		5.0863
H10	3.1974	2.0360	4.4598	1.0202	3.5230	2.4120	4.5687	1.6574	5.0863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.659	C1	C2	H6	119.984
C1	N3	H7	112.050	C1	N3	H9	112.430
C2	C1	N3	125.659	C2	C1	H5	119.984
C2	N4	H8	112.050	C2	N4	H10	112.430
N3	C1	H5	113.934	N4	C2	H6	113.934
H7	N3	H9	108.658	H8	N4	H10	108.658

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBEPBEultrafine/cc-pVTZ

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	-0.096
2	C	-0.096
3	N	-0.231
4	N	-0.231
5	H	0.074
6	H	0.074
7	H	0.122
8	H	0.122
9	H	0.131
10	H	0.131

	x	y	z	Total
	0.000	0.000	1.945	1.945
CHELPG
AIM
ESP

	x	y	z
x	6.061	-0.034	0.000
y	-0.034	9.790	0.000
z	0.000	0.000	4.142

<r²>	98.427
(<r²>)^1/2	9.921

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)