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	hartrees
Energy at 0K	-302.682492
Energy at 298.15K	-302.676474
HF Energy	-301.482345
Nuclear repulsion energy	161.936313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3285	3095	94.86	98.63	0.27	0.42
2	A	2123	2000	59.37	30.80	0.18	0.30
3	A	1611	1517	2.81	1.20	0.36	0.52
4	A	1285	1211	158.78	4.14	0.24	0.39
5	A	1162	1094	0.00	3.78	0.75	0.86
6	A	592	557	1.94	4.98	0.36	0.53
7	A	302	285	18.60	0.88	0.62	0.77
8	A	168	158	0.00	0.78	0.75	0.86
9	B	3258	3069	0.28	3.09	0.75	0.86
10	B	2040	1922	882.17	4.64	0.75	0.86
11	B	1555	1465	18.82	8.65	0.75	0.86
12	B	1276	1202	670.75	1.12	0.75	0.86
13	B	1172	1104	11.05	2.70	0.75	0.86
14	B	773	728	56.10	0.03	0.75	0.86
15	B	132	125	4.24	0.10	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.392
C2	1.181	-0.325
C3	-1.181	-0.325
O4	2.250	0.224
O5	-2.250	0.224
H6	1.034	-1.415
H7	-1.034	-1.415

	O1	C2	C3	O4	O5	H6	H7
O1		1.3817	1.3817	2.2564	2.2564	2.0825	2.0825
C2	1.3817		2.3624	1.2017	3.4750	1.1007	2.4691
C3	1.3817	2.3624		3.4750	1.2017	2.4691	1.1007
O4	2.2564	1.2017	3.4750		4.5004	2.0416	3.6707
O5	2.2564	3.4750	1.2017	4.5004		3.6707	2.0416
H6	2.0825	1.1007	2.4691	2.0416	3.6707		2.0678
H7	2.0825	2.4691	1.1007	3.6707	2.0416	2.0678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.966	O1	C2	H6	113.908
O1	C3	O5	121.966	C2	O1	C3	120.148
O4	C2	H6	124.126

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

using model chemistry: G2

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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