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	hartrees
Energy at 0K	-28.860663
Energy at 298.15K
HF Energy	-28.860663
Nuclear repulsion energy	41.915080

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	3360	3028	10.51	237.75	0.11	0.19
2	A₁	1667	1502	0.67	10.49	0.22	0.36
3	A₁	1376	1240	8.32	38.27	0.17	0.29
4	A₁	1255	1131	0.17	15.97	0.17	0.29
5	A₁	902	813	102.29	16.97	0.62	0.76
6	A₂	3448	3108	0.00	109.70	0.75	0.86
7	A₂	1284	1157	0.00	3.66	0.75	0.86
8	A₂	1112	1002	0.00	0.01	0.75	0.86
9	B₁	3468	3126	94.80	13.52	0.75	0.86
10	B₁	1226	1105	7.10	13.41	0.75	0.86
11	B₁	888	801	1.76	7.15	0.75	0.86
12	B₂	3343	3013	53.33	9.83	0.75	0.86
13	B₂	1628	1467	0.34	3.87	0.75	0.86
14	B₂	1275	1149	4.47	0.54	0.75	0.86
15	B₂	885	798	5.60	25.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.876
C2	0.000	0.744	-0.387
C3	0.000	-0.744	-0.387
H4	0.913	1.279	-0.591
H5	-0.913	1.279	-0.591
H6	-0.913	-1.279	-0.591
H7	0.913	-1.279	-0.591

	O1	C2	C3	H4	H5	H6	H7
O1		1.4663	1.4663	2.1494	2.1494	2.1494	2.1494
C2	1.4663		1.4873	1.0772	1.0772	2.2279	2.2279
C3	1.4663	1.4873		2.2279	2.2279	1.0772	1.0772
H4	2.1494	1.0772	2.2279		1.8251	3.1417	2.5573
H5	2.1494	1.0772	2.2279	1.8251		2.5573	3.1417
H6	2.1494	2.2279	1.0772	3.1417	2.5573		1.8251
H7	2.1494	2.2279	1.0772	2.5573	3.1417	1.8251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.526	O1	C2	H4	114.489
O1	C2	H5	114.489	O1	C3	C2	59.526
O1	C3	H6	114.489	O1	C3	H7	114.489
C2	O1	C3	60.947	C2	C3	H6	119.779
C2	C3	H7	119.779	C3	C2	H4	119.779
C3	C2	H5	119.779	H4	C2	H5	115.813
H6	C3	H7	115.813

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

using model chemistry: HF/CEP-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	-0.384
2	C	-0.116
3	C	-0.116
4	H	0.154
5	H	0.154
6	H	0.154
7	H	0.154

	x	y	z	Total
	0.000	0.000	-3.002	3.002
CHELPG
AIM
ESP

<r²>	32.942
(<r²>)^1/2	5.740

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

using model chemistry: HF/CEP-31G

States and conformations

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