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	hartrees
Energy at 0K	-153.716522
Energy at 298.15K
HF Energy	-153.716522
Nuclear repulsion energy	75.580656

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	3153	2986	9.61	194.03	0.10	0.18
2	A₁	1583	1499	4.85	3.23	0.63	0.78
3	A₁	1346	1274	16.01	25.66	0.18	0.31
4	A₁	1183	1120	0.10	0.99	0.54	0.70
5	A₁	944	894	59.23	12.52	0.73	0.85
6	A₂	3232	3061	0.00	106.49	0.75	0.86
7	A₂	1186	1123	0.00	5.31	0.75	0.86
8	A₂	1059	1003	0.00	0.30	0.75	0.86
9	B₁	3246	3074	48.64	13.91	0.75	0.86
10	B₁	1192	1129	4.26	15.65	0.75	0.86
11	B₁	822	778	0.05	8.53	0.75	0.86
12	B₂	3146	2979	30.31	8.86	0.75	0.86
13	B₂	1531	1449	0.68	6.71	0.75	0.86
14	B₂	1156	1094	1.21	3.55	0.75	0.86
15	B₂	945	895	10.84	5.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.844
C2	0.000	0.734	-0.367
C3	0.000	-0.734	-0.367
H4	0.921	1.269	-0.588
H5	-0.921	1.269	-0.588
H6	-0.921	-1.269	-0.588
H7	0.921	-1.269	-0.588

	O1	C2	C3	H4	H5	H6	H7
O1		1.4154	1.4154	2.1229	2.1229	2.1229	2.1229
C2	1.4154		1.4679	1.0879	1.0879	2.2154	2.2154
C3	1.4154	1.4679		2.2154	2.2154	1.0879	1.0879
H4	2.1229	1.0879	2.2154		1.8426	3.1359	2.5374
H5	2.1229	1.0879	2.2154	1.8426		2.5374	3.1359
H6	2.1229	2.2154	1.0879	3.1359	2.5374		1.8426
H7	2.1229	2.2154	1.0879	2.5374	3.1359	1.8426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.767	O1	C2	H4	115.372
O1	C2	H5	115.372	O1	C3	C2	58.767
O1	C3	H6	115.372	O1	C3	H7	115.372
C2	O1	C3	62.467	C2	C3	H6	119.442
C2	C3	H7	119.442	C3	C2	H4	119.442
C3	C2	H5	119.442	H4	C2	H5	115.742
H6	C3	H7	115.742

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

using model chemistry: M06-2X/6-31G*

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	-0.440
2	C	-0.126
3	C	-0.126
4	H	0.173
5	H	0.173
6	H	0.173
7	H	0.173

	x	y	z	Total
	0.000	0.000	-1.978	1.978
CHELPG
AIM
ESP

<r²>	36.205
(<r²>)^1/2	6.017

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

using model chemistry: M06-2X/6-31G*

States and conformations

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