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	hartrees
Energy at 0K	-153.775856
Energy at 298.15K
HF Energy	-153.775856
Nuclear repulsion energy	75.777060

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	3121	2987	13.94	232.56	0.09	0.16
2	A₁	1551	1484	4.08	1.92	0.52	0.68
3	A₁	1326	1269	15.17	28.69	0.14	0.25
4	A₁	1160	1110	0.10	0.83	0.45	0.62
5	A₁	925	885	72.41	11.60	0.73	0.84
6	A₂	3200	3062	0.00	112.39	0.75	0.86
7	A₂	1176	1126	0.00	1.74	0.75	0.86
8	A₂	1052	1006	0.00	0.09	0.75	0.86
9	B₁	3215	3077	46.13	19.22	0.75	0.86
10	B₁	1181	1130	3.95	9.10	0.75	0.86
11	B₁	823	788	0.01	6.19	0.75	0.86
12	B₂	3114	2979	36.20	11.64	0.75	0.86
13	B₂	1509	1444	0.01	6.35	0.75	0.86
14	B₂	1151	1101	3.28	3.13	0.75	0.86
15	B₂	898	860	13.01	3.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.845
C2	0.000	0.729	-0.367
C3	0.000	-0.729	-0.367
H4	0.917	1.262	-0.588
H5	-0.917	1.262	-0.588
H6	-0.917	-1.262	-0.588
H7	0.917	-1.262	-0.588

	O1	C2	C3	H4	H5	H6	H7
O1		1.4148	1.4148	2.1188	2.1188	2.1188	2.1188
C2	1.4148		1.4583	1.0839	1.0839	2.2038	2.2038
C3	1.4148	1.4583		2.2038	2.2038	1.0839	1.0839
H4	2.1188	1.0839	2.2038		1.8350	3.1211	2.5247
H5	2.1188	1.0839	2.2038	1.8350		2.5247	3.1211
H6	2.1188	2.2038	1.0839	3.1211	2.5247		1.8350
H7	2.1188	2.2038	1.0839	2.5247	3.1211	1.8350

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.979	O1	C2	H4	115.345
O1	C2	H5	115.345	O1	C3	C2	58.979
O1	C3	H6	115.345	O1	C3	H7	115.345
C2	O1	C3	62.043	C2	C3	H6	119.467
C2	C3	H7	119.467	C3	C2	H4	119.467
C3	C2	H5	119.467	H4	C2	H5	115.661
H6	C3	H7	115.661

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

using model chemistry: B1B95/TZVP

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	-0.254
2	C	-0.119
3	C	-0.119
4	H	0.123
5	H	0.123
6	H	0.123
7	H	0.123

	x	y	z	Total
	0.000	0.000	-2.013	2.013
CHELPG
AIM
ESP

<r²>	36.173
(<r²>)^1/2	6.014

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

using model chemistry: B1B95/TZVP

States and conformations

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