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	hartrees
Energy at 0K	-152.921699
Energy at 298.15K
HF Energy	-152.921699
Nuclear repulsion energy	76.415135

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	3261	2963	11.41	215.50	0.10	0.18
2	A₁	1678	1524	4.45	2.39	0.20	0.33
3	A₁	1410	1281	18.15	31.88	0.14	0.25
4	A₁	1290	1172	4.88	2.85	0.18	0.31
5	A₁	971	882	95.64	12.96	0.70	0.83
6	A₂	3335	3030	0.00	107.34	0.75	0.86
7	A₂	1278	1161	0.00	1.71	0.75	0.86
8	A₂	1150	1045	0.00	0.10	0.75	0.86
9	B₁	3351	3044	55.84	14.10	0.75	0.86
10	B₁	1284	1167	9.16	7.66	0.75	0.86
11	B₁	881	800	0.07	4.34	0.75	0.86
12	B₂	3250	2953	44.83	8.36	0.75	0.86
13	B₂	1631	1482	0.03	4.80	0.75	0.86
14	B₂	1285	1168	0.38	1.97	0.75	0.86
15	B₂	965	877	11.10	7.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.833
C2	0.000	0.726	-0.363
C3	0.000	-0.726	-0.363
H4	0.910	1.260	-0.576
H5	-0.910	1.260	-0.576
H6	-0.910	-1.260	-0.576
H7	0.910	-1.260	-0.576

	O1	C2	C3	H4	H5	H6	H7
O1		1.3995	1.3995	2.0979	2.0979	2.0979	2.0979
C2	1.3995		1.4525	1.0762	1.0762	2.1953	2.1953
C3	1.3995	1.4525		2.1953	2.1953	1.0762	1.0762
H4	2.0979	1.0762	2.1953		1.8195	3.1087	2.5206
H5	2.0979	1.0762	2.1953	1.8195		2.5206	3.1087
H6	2.0979	2.1953	1.0762	3.1087	2.5206		1.8195
H7	2.0979	2.1953	1.0762	2.5206	3.1087	1.8195

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.740	O1	C2	H4	115.245
O1	C2	H5	115.245	O1	C3	C2	58.740
O1	C3	H6	115.245	O1	C3	H7	115.245
C2	O1	C3	62.521	C2	C3	H6	119.754
C2	C3	H7	119.754	C3	C2	H4	119.754
C3	C2	H5	119.754	H4	C2	H5	115.421
H6	C3	H7	115.421

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

using model chemistry: HF/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	-0.327
2	C	-0.012
3	C	-0.012
4	H	0.088
5	H	0.088
6	H	0.088
7	H	0.088

	x	y	z	Total
	0.000	0.000	-2.244	2.244
CHELPG
AIM
ESP

<r²>	35.792
(<r²>)^1/2	5.983

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

using model chemistry: HF/TZVP

States and conformations

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