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	hartrees
Energy at 0K	-302.776702
Energy at 298.15K
HF Energy	-302.776702
Nuclear repulsion energy	159.726405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3041	2902	95.35	109.59	0.27	0.43
2	A₁	1966	1877	31.52	27.64	0.19	0.32
3	A₁	1462	1395	0.00	2.80	0.31	0.47
4	A₁	1173	1120	119.76	4.50	0.22	0.37
5	A₁	549	523	0.81	8.45	0.36	0.53
6	A₁	280	267	13.99	0.74	0.45	0.62
7	A₂	1037	990	0.00	1.72	0.75	0.86
8	A₂	182	174	0.00	0.40	0.75	0.86
9	B₁	1045	997	0.92	3.67	0.75	0.86
10	B₁	134	127	4.27	0.10	0.75	0.86
11	B₂	3022	2884	0.17	2.14	0.75	0.86
12	B₂	1887	1801	649.89	3.09	0.75	0.86
13	B₂	1411	1346	9.01	8.81	0.75	0.86
14	B₂	1130	1079	596.60	2.22	0.75	0.86
15	B₂	714	681	38.62	0.00	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.384
C2	1.174	-0.321
C3	-1.174	-0.321
O4	2.230	0.225
O5	-2.230	0.225
H6	1.027	-1.415
H7	-1.027	-1.415

	O1	C2	C3	O4	O5	H6	H7
O1		1.3690	1.3690	2.2360	2.2360	2.0712	2.0712
C2	1.3690		2.3474	1.1893	3.4475	1.1039	2.4575
C3	1.3690	2.3474		3.4475	1.1893	2.4575	1.1039
O4	2.2360	1.1893	3.4475		4.4606	2.0342	3.6466
O5	2.2360	3.4475	1.1893	4.4606		3.6466	2.0342
H6	2.0712	1.1039	2.4575	2.0342	3.6466		2.0535
H7	2.0712	2.4575	1.1039	3.6466	2.0342	2.0535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.698	O1	C2	H6	113.332
O1	C3	O5	121.698	C2	O1	C3	118.039
O4	C2	H6	124.970

All results from a given calculation for CHOOCHO (diformyl ether)

using model chemistry: HSEh1PBE/6-31G**

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	O	-0.388
2	C	0.455
3	C	0.455
4	O	-0.378
5	O	-0.378
6	H	0.117
7	H	0.117

	x	y	z	Total
	0.000	0.000	-3.217	3.217
CHELPG
AIM
ESP

<r²>	124.097
(<r²>)^1/2	11.140