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	hartrees
Energy at 0K	-153.385972
Energy at 298.15K
HF Energy	-152.887691
Nuclear repulsion energy	74.476000

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	3158	3158	14.57	235.78	0.06	0.11
2	A₁	1531	1531	1.79	3.11	0.22	0.36
3	A₁	1296	1296	9.67	32.45	0.10	0.18
4	A₁	1129	1129	0.71	5.22	0.10	0.19
5	A₁	881	881	69.03	8.28	0.73	0.84
6	A₂	3256	3256	0.00	97.71	0.75	0.86
7	A₂	1166	1166	0.00	0.86	0.75	0.86
8	A₂	1036	1036	0.00	0.00	0.75	0.86
9	B₁	3271	3271	27.46	19.04	0.75	0.86
10	B₁	1149	1149	3.58	2.94	0.75	0.86
11	B₁	811	811	0.22	2.37	0.75	0.86
12	B₂	3151	3151	26.39	9.17	0.75	0.86
13	B₂	1496	1496	0.04	2.88	0.75	0.86
14	B₂	1145	1145	0.24	0.19	0.75	0.86
15	B₂	813	813	8.10	3.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.869
C2	0.000	0.737	-0.381
C3	0.000	-0.737	-0.381
H4	0.929	1.271	-0.593
H5	-0.929	1.271	-0.593
H6	-0.929	-1.271	-0.593
H7	0.929	-1.271	-0.593

	O1	C2	C3	H4	H5	H6	H7
O1		1.4513	1.4513	2.1483	2.1483	2.1483	2.1483
C2	1.4513		1.4742	1.0920	1.0920	2.2229	2.2229
C3	1.4513	1.4742		2.2229	2.2229	1.0920	1.0920
H4	2.1483	1.0920	2.2229		1.8571	3.1488	2.5428
H5	2.1483	1.0920	2.2229	1.8571		2.5428	3.1488
H6	2.1483	2.2229	1.0920	3.1488	2.5428		1.8571
H7	2.1483	2.2229	1.0920	2.5428	3.1488	1.8571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.475	O1	C2	H4	114.542
O1	C2	H5	114.542	O1	C3	C2	59.475
O1	C3	H6	114.542	O1	C3	H7	114.542
C2	O1	C3	61.050	C2	C3	H6	119.294
C2	C3	H7	119.294	C3	C2	H4	119.294
C3	C2	H5	119.294	H4	C2	H5	116.497
H6	C3	H7	116.497

All results from a given calculation for C₂H₄O (Ethylene oxide)

using model chemistry: MP2=FULL/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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All results from a given calculation for C2H4O (Ethylene oxide)

using model chemistry: MP2=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄O (Ethylene oxide)