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	hartrees
Energy at 0K	-153.748206
Energy at 298.15K
HF Energy	-153.748206
Nuclear repulsion energy	75.520617

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	3141	2979	12.01	194.84	0.10	0.17
2	A₁	1582	1501	4.26	3.08	0.72	0.84
3	A₁	1339	1270	13.44	24.02	0.17	0.29
4	A₁	1179	1118	0.10	1.43	0.51	0.68
5	A₁	934	886	61.89	11.73	0.74	0.85
6	A₂	3215	3049	0.00	108.17	0.75	0.86
7	A₂	1194	1133	0.00	4.75	0.75	0.86
8	A₂	1057	1002	0.00	0.20	0.75	0.86
9	B₁	3231	3064	57.81	15.01	0.75	0.86
10	B₁	1188	1127	2.81	15.09	0.75	0.86
11	B₁	829	786	0.03	8.88	0.75	0.86
12	B₂	3132	2970	39.39	9.74	0.75	0.86
13	B₂	1535	1456	0.55	6.83	0.75	0.86
14	B₂	1156	1096	2.16	3.48	0.75	0.86
15	B₂	907	860	13.17	4.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.848
C2	0.000	0.731	-0.368
C3	0.000	-0.731	-0.368
H4	0.920	1.270	-0.590
H5	-0.920	1.270	-0.590
H6	-0.920	-1.270	-0.590
H7	0.920	-1.270	-0.590

	O1	C2	C3	H4	H5	H6	H7
O1		1.4188	1.4188	2.1274	2.1274	2.1274	2.1274
C2	1.4188		1.4628	1.0887	1.0887	2.2135	2.2135
C3	1.4188	1.4628		2.2135	2.2135	1.0887	1.0887
H4	2.1274	1.0887	2.2135		1.8398	3.1358	2.5394
H5	2.1274	1.0887	2.2135	1.8398		2.5394	3.1358
H6	2.1274	2.2135	1.0887	3.1358	2.5394		1.8398
H7	2.1274	2.2135	1.0887	2.5394	3.1358	1.8398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.970	O1	C2	H4	115.445
O1	C2	H5	115.445	O1	C3	C2	58.970
O1	C3	H6	115.445	O1	C3	H7	115.445
C2	O1	C3	62.060	C2	C3	H6	119.633
C2	C3	H7	119.633	C3	C2	H4	119.633
C3	C2	H5	119.633	H4	C2	H5	115.332
H6	C3	H7	115.332

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

using model chemistry: mPW1PW91/6-31G*

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	-0.427
2	C	-0.145
3	C	-0.145
4	H	0.179
5	H	0.179
6	H	0.179
7	H	0.179

	x	y	z	Total
	0.000	0.000	-1.961	1.961
CHELPG
AIM
ESP

<r²>	36.160
(<r²>)^1/2	6.013

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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