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	hartrees
Energy at 0K	-153.786368
Energy at 298.15K
HF Energy	-153.786368
Nuclear repulsion energy	75.464490

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	3097	2987	14.32	232.34	0.09	0.16
2	A₁	1542	1487	3.58	1.94	0.62	0.76
3	A₁	1311	1264	14.40	28.27	0.14	0.24
4	A₁	1150	1109	0.02	1.14	0.42	0.59
5	A₁	908	875	72.70	11.48	0.74	0.85
6	A₂	3174	3061	0.00	113.09	0.75	0.86
7	A₂	1174	1132	0.00	1.71	0.75	0.86
8	A₂	1044	1007	0.00	0.07	0.75	0.86
9	B₁	3189	3075	47.10	19.75	0.75	0.86
10	B₁	1172	1130	3.46	9.10	0.75	0.86
11	B₁	821	792	0.02	6.43	0.75	0.86
12	B₂	3090	2980	37.38	11.92	0.75	0.86
13	B₂	1503	1450	0.02	6.41	0.75	0.86
14	B₂	1144	1104	3.78	3.14	0.75	0.86
15	B₂	872	841	13.04	3.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.850
C2	0.000	0.731	-0.370
C3	0.000	-0.731	-0.370
H4	0.920	1.267	-0.591
H5	-0.920	1.267	-0.591
H6	-0.920	-1.267	-0.591
H7	0.920	-1.267	-0.591

	O1	C2	C3	H4	H5	H6	H7
O1		1.4221	1.4221	2.1280	2.1280	2.1280	2.1280
C2	1.4221		1.4621	1.0873	1.0873	2.2107	2.2107
C3	1.4221	1.4621		2.2107	2.2107	1.0873	1.0873
H4	2.1280	1.0873	2.2107		1.8398	3.1313	2.5338
H5	2.1280	1.0873	2.2107	1.8398		2.5338	3.1313
H6	2.1280	2.2107	1.0873	3.1313	2.5338		1.8398
H7	2.1280	2.2107	1.0873	2.5338	3.1313	1.8398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.065	O1	C2	H4	115.340
O1	C2	H5	115.340	O1	C3	C2	59.065
O1	C3	H6	115.340	O1	C3	H7	115.340
C2	O1	C3	61.870	C2	C3	H6	119.525
C2	C3	H7	119.525	C3	C2	H4	119.525
C3	C2	H5	119.525	H4	C2	H5	115.555
H6	C3	H7	115.555

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

using model chemistry: B3PW91/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	-0.255
2	C	-0.124
3	C	-0.124
4	H	0.126
5	H	0.126
6	H	0.126
7	H	0.126

	x	y	z	Total
	0.000	0.000	-2.018	2.018
CHELPG
AIM
ESP

<r²>	36.379
(<r²>)^1/2	6.032

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

using model chemistry: B3PW91/TZVP

States and conformations

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