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	hartrees
Energy at 0K	-151.762412
Energy at 298.15K
HF Energy	-151.762412
Nuclear repulsion energy	73.373148

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	3344	2959	0.18	72.03	0.10	0.17
2	A₁	1666	1475	0.17	12.78	0.69	0.82
3	A₁	1385	1226	2.01	16.38	0.30	0.46
4	A₁	1250	1106	4.89	1.82	0.27	0.42
5	A₁	986	873	8.71	7.43	0.74	0.85
6	A₂	3478	3078	0.00	51.77	0.75	0.86
7	A₂	1221	1080	0.00	6.20	0.75	0.86
8	A₂	1065	942	0.00	0.15	0.75	0.86
9	B₁	3488	3087	3.93	8.58	0.75	0.86
10	B₁	1179	1044	4.95	11.06	0.75	0.86
11	B₁	869	769	0.00	3.91	0.75	0.86
12	B₂	3332	2949	1.80	5.22	0.75	0.86
13	B₂	1621	1435	0.08	5.60	0.75	0.86
14	B₂	1198	1061	1.99	0.53	0.75	0.86
15	B₂	1058	936	0.20	5.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.886
C2	0.000	0.751	-0.379
C3	0.000	-0.751	-0.379
H4	0.927	1.292	-0.634
H5	-0.927	1.292	-0.634
H6	-0.927	-1.292	-0.634
H7	0.927	-1.292	-0.634

	O1	C2	C3	H4	H5	H6	H7
O1		1.4706	1.4706	2.2000	2.2000	2.2000	2.2000
C2	1.4706		1.5012	1.1040	1.1040	2.2580	2.2580
C3	1.4706	1.5012		2.2580	2.2580	1.1040	1.1040
H4	2.2000	1.1040	2.2580		1.8550	3.1812	2.5845
H5	2.2000	1.1040	2.2580	1.8550		2.5845	3.1812
H6	2.2000	2.2580	1.1040	3.1812	2.5845		1.8550
H7	2.2000	2.2580	1.1040	2.5845	3.1812	1.8550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.310	O1	C2	H4	116.697
O1	C2	H5	116.697	O1	C3	C2	59.310
O1	C3	H6	116.697	O1	C3	H7	116.697
C2	O1	C3	61.381	C2	C3	H6	119.382
C2	C3	H7	119.382	C3	C2	H4	119.382
C3	C2	H5	119.382	H4	C2	H5	114.307
H6	C3	H7	114.307

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

using model chemistry: B3PW91/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	-0.163
2	C	-0.095
3	C	-0.095
4	H	0.088
5	H	0.088
6	H	0.088
7	H	0.088

	x	y	z	Total
	0.000	0.000	-1.268	1.268
CHELPG
AIM
ESP

<r²>	37.021
(<r²>)^1/2	6.084

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

using model chemistry: B3PW91/STO-3G

States and conformations

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