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	hartrees
Energy at 0K	-151.621524
Energy at 298.15K
HF Energy	-151.621524
Nuclear repulsion energy	72.770054

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	3240	2960	1.21	76.57	0.09	0.16
2	A₁	1620	1480	0.40	13.68	0.73	0.84
3	A₁	1341	1225	2.10	14.96	0.28	0.44
4	A₁	1200	1097	5.09	1.76	0.30	0.47
5	A₁	953	870	8.40	7.46	0.74	0.85
6	A₂	3367	3076	0.00	53.97	0.75	0.86
7	A₂	1179	1077	0.00	6.14	0.75	0.86
8	A₂	1031	942	0.00	0.25	0.75	0.86
9	B₁	3378	3086	9.47	9.74	0.75	0.86
10	B₁	1140	1042	3.33	11.04	0.75	0.86
11	B₁	845	772	0.00	4.31	0.75	0.86
12	B₂	3230	2951	0.05	6.17	0.75	0.86
13	B₂	1582	1445	0.24	6.12	0.75	0.86
14	B₂	1148	1049	2.78	0.98	0.75	0.86
15	B₂	1004	917	0.91	4.54	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.896
C2	0.000	0.755	-0.383
C3	0.000	-0.755	-0.383
H4	0.933	1.301	-0.642
H5	-0.933	1.301	-0.642
H6	-0.933	-1.301	-0.642
H7	0.933	-1.301	-0.642

	O1	C2	C3	H4	H5	H6	H7
O1		1.4849	1.4849	2.2202	2.2202	2.2202	2.2202
C2	1.4849		1.5099	1.1119	1.1119	2.2728	2.2728
C3	1.4849	1.5099		2.2728	2.2728	1.1119	1.1119
H4	2.2202	1.1119	2.2728		1.8663	3.2023	2.6023
H5	2.2202	1.1119	2.2728	1.8663		2.6023	3.2023
H6	2.2202	2.2728	1.1119	3.2023	2.6023		1.8663
H7	2.2202	2.2728	1.1119	2.6023	3.2023	1.8663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.441	O1	C2	H4	116.787
O1	C2	H5	116.787	O1	C3	C2	59.441
O1	C3	H6	116.787	O1	C3	H7	116.787
C2	O1	C3	61.117	C2	C3	H6	119.420
C2	C3	H7	119.420	C3	C2	H4	119.420
C3	C2	H5	119.420	H4	C2	H5	114.113
H6	C3	H7	114.113

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

using model chemistry: PBEPBE/STO-3G

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	-0.145
2	C	-0.101
3	C	-0.101
4	H	0.087
5	H	0.087
6	H	0.087
7	H	0.087

	x	y	z	Total
	0.000	0.000	-1.167	1.167
CHELPG
AIM
ESP

<r²>	37.438
(<r²>)^1/2	6.119

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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