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	hartrees
Energy at 0K	-152.811985
Energy at 298.15K
HF Energy	-152.811985
Nuclear repulsion energy	74.428650

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	3356	3020	8.60	213.95	0.09	0.16
2	A₁	1672	1504	0.48	5.57	0.27	0.43
3	A₁	1377	1240	11.12	34.64	0.16	0.28
4	A₁	1256	1130	0.14	15.87	0.15	0.26
5	A₁	892	802	96.74	15.80	0.65	0.79
6	A₂	3448	3103	0.00	93.73	0.75	0.86
7	A₂	1297	1167	0.00	4.86	0.75	0.86
8	A₂	1115	1003	0.00	0.00	0.75	0.86
9	B₁	3464	3118	57.97	10.61	0.75	0.86
10	B₁	1229	1106	5.31	13.63	0.75	0.86
11	B₁	895	806	1.94	6.79	0.75	0.86
12	B₂	3340	3006	43.78	9.50	0.75	0.86
13	B₂	1640	1476	0.86	4.04	0.75	0.86
14	B₂	1285	1157	5.65	0.54	0.75	0.86
15	B₂	871	783	4.72	22.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.877
C2	0.000	0.738	-0.387
C3	0.000	-0.738	-0.387
H4	0.907	1.270	-0.593
H5	-0.907	1.270	-0.593
H6	-0.907	-1.270	-0.593
H7	0.907	-1.270	-0.593

	O1	C2	C3	H4	H5	H6	H7
O1		1.4641	1.4641	2.1442	2.1442	2.1442	2.1442
C2	1.4641		1.4765	1.0714	1.0714	2.2134	2.2134
C3	1.4641	1.4765		2.2134	2.2134	1.0714	1.0714
H4	2.1442	1.0714	2.2134		1.8137	3.1217	2.5408
H5	2.1442	1.0714	2.2134	1.8137		2.5408	3.1217
H6	2.1442	2.2134	1.0714	3.1217	2.5408		1.8137
H7	2.1442	2.2134	1.0714	2.5408	3.1217	1.8137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.719	O1	C2	H4	114.603
O1	C2	H5	114.603	O1	C3	C2	59.719
O1	C3	H6	114.603	O1	C3	H7	114.603
C2	O1	C3	60.563	C2	C3	H6	119.779
C2	C3	H7	119.779	C3	C2	H4	119.779
C3	C2	H5	119.779	H4	C2	H5	115.649
H6	C3	H7	115.649

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

using model chemistry: HF/LANL2DZ

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	-0.467
2	C	-0.153
3	C	-0.153
4	H	0.193
5	H	0.193
6	H	0.193
7	H	0.193

	x	y	z	Total
	0.000	0.000	-2.989	2.989
CHELPG
AIM
ESP

<r²>	37.128
(<r²>)^1/2	6.093

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

using model chemistry: HF/LANL2DZ

States and conformations

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