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	hartrees
Energy at 0K	-153.791950
Energy at 298.15K
HF Energy	-153.791950
Nuclear repulsion energy	75.098300

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	3098	2977	12.43	196.42	0.09	0.17
2	A₁	1560	1499	3.91	3.99	0.75	0.86
3	A₁	1310	1259	12.13	22.95	0.17	0.29
4	A₁	1159	1114	0.20	2.61	0.44	0.61
5	A₁	901	865	56.44	11.75	0.75	0.85
6	A₂	3172	3048	0.00	109.77	0.75	0.86
7	A₂	1181	1135	0.00	5.05	0.75	0.86
8	A₂	1042	1001	0.00	0.20	0.75	0.86
9	B₁	3188	3063	60.68	15.52	0.75	0.86
10	B₁	1170	1124	2.76	15.25	0.75	0.86
11	B₁	818	786	0.09	9.11	0.75	0.86
12	B₂	3090	2969	40.13	9.71	0.75	0.86
13	B₂	1520	1461	0.77	6.97	0.75	0.86
14	B₂	1146	1101	1.71	3.66	0.75	0.86
15	B₂	860	826	12.60	4.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.856
C2	0.000	0.735	-0.372
C3	0.000	-0.735	-0.372
H4	0.920	1.274	-0.596
H5	-0.920	1.274	-0.596
H6	-0.920	-1.274	-0.596
H7	0.920	-1.274	-0.596

	O1	C2	C3	H4	H5	H6	H7
O1		1.4303	1.4303	2.1395	2.1395	2.1395	2.1395
C2	1.4303		1.4692	1.0899	1.0899	2.2205	2.2205
C3	1.4303	1.4692		2.2205	2.2205	1.0899	1.0899
H4	2.1395	1.0899	2.2205		1.8403	3.1427	2.5475
H5	2.1395	1.0899	2.2205	1.8403		2.5475	3.1427
H6	2.1395	2.2205	1.0899	3.1427	2.5475		1.8403
H7	2.1395	2.2205	1.0899	2.5475	3.1427	1.8403

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.098	O1	C2	H4	115.533
O1	C2	H5	115.533	O1	C3	C2	59.098
O1	C3	H6	115.533	O1	C3	H7	115.533
C2	O1	C3	61.805	C2	C3	H6	119.651
C2	C3	H7	119.651	C3	C2	H4	119.651
C3	C2	H5	119.651	H4	C2	H5	115.179
H6	C3	H7	115.179

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

using model chemistry: B3LYPultrafine/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	-0.439
2	C	-0.005
3	C	-0.005
4	H	0.112
5	H	0.112
6	H	0.112
7	H	0.112

	x	y	z	Total
	0.000	0.000	-1.948	1.948
CHELPG
AIM
ESP

<r²>	36.499
(<r²>)^1/2	6.041

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

using model chemistry: B3LYPultrafine/6-31G**

States and conformations

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