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	hartrees
Energy at 0K	-153.789237
Energy at 298.15K
HF Energy	-153.789237
Nuclear repulsion energy	75.619983

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	3113	2979	12.54	216.39	0.09	0.17
2	A₁	1552	1485	3.84	1.55	0.59	0.74
3	A₁	1329	1272	16.16	25.84	0.16	0.28
4	A₁	1158	1108	0.04	0.76	0.60	0.75
5	A₁	924	884	70.36	10.85	0.73	0.84
6	A₂	3190	3051	0.00	113.64	0.75	0.86
7	A₂	1175	1124	0.00	2.72	0.75	0.86
8	A₂	1051	1006	0.00	0.10	0.75	0.86
9	B₁	3205	3066	56.89	17.24	0.75	0.86
10	B₁	1181	1130	4.22	10.55	0.75	0.86
11	B₁	823	787	0.03	5.94	0.75	0.86
12	B₂	3104	2970	40.84	9.89	0.75	0.86
13	B₂	1507	1442	0.01	6.04	0.75	0.86
14	B₂	1147	1097	2.48	1.89	0.75	0.86
15	B₂	892	853	12.10	3.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.847
C2	0.000	0.731	-0.368
C3	0.000	-0.731	-0.368
H4	0.919	1.266	-0.590
H5	-0.919	1.266	-0.590
H6	-0.919	-1.266	-0.590
H7	0.919	-1.266	-0.590

	O1	C2	C3	H4	H5	H6	H7
O1		1.4173	1.4173	2.1241	2.1241	2.1241	2.1241
C2	1.4173		1.4614	1.0866	1.0866	2.2091	2.2091
C3	1.4173	1.4614		2.2091	2.2091	1.0866	1.0866
H4	2.1241	1.0866	2.2091		1.8385	3.1286	2.5314
H5	2.1241	1.0866	2.2091	1.8385		2.5314	3.1286
H6	2.1241	2.2091	1.0866	3.1286	2.5314		1.8385
H7	2.1241	2.2091	1.0866	2.5314	3.1286	1.8385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.965	O1	C2	H4	115.425
O1	C2	H5	115.425	O1	C3	C2	58.965
O1	C3	H6	115.425	O1	C3	H7	115.425
C2	O1	C3	62.070	C2	C3	H6	119.494
C2	C3	H7	119.494	C3	C2	H4	119.494
C3	C2	H5	119.494	H4	C2	H5	115.551
H6	C3	H7	115.551

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

using model chemistry: mPW1PW91/6-311G**

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	-0.307
2	C	-0.103
3	C	-0.103
4	H	0.128
5	H	0.128
6	H	0.128
7	H	0.128

	x	y	z	Total
	0.000	0.000	-1.941	1.941
CHELPG
AIM
ESP

<r²>	36.180
(<r²>)^1/2	6.015

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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