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	hartrees
Energy at 0K	-153.742179
Energy at 298.15K
HF Energy	-153.742179
Nuclear repulsion energy	75.503569

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	3125	3125	12.17	197.62	0.09	0.17
2	A₁	1575	1575	4.44	2.97	0.70	0.82
3	A₁	1335	1335	14.60	24.84	0.18	0.30
4	A₁	1184	1184	0.21	1.34	0.51	0.67
5	A₁	930	930	61.25	12.38	0.73	0.85
6	A₂	3203	3203	0.00	109.40	0.75	0.86
7	A₂	1188	1188	0.00	4.59	0.75	0.86
8	A₂	1057	1057	0.00	0.26	0.75	0.86
9	B₁	3217	3217	58.11	15.27	0.75	0.86
10	B₁	1188	1188	3.29	14.80	0.75	0.86
11	B₁	831	831	0.06	8.69	0.75	0.86
12	B₂	3115	3115	40.64	9.49	0.75	0.86
13	B₂	1526	1526	0.39	6.84	0.75	0.86
14	B₂	1162	1162	1.92	3.31	0.75	0.86
15	B₂	914	914	12.29	4.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.847
C2	0.000	0.732	-0.368
C3	0.000	-0.732	-0.368
H4	0.920	1.269	-0.592
H5	-0.920	1.269	-0.592
H6	-0.920	-1.269	-0.592
H7	0.920	-1.269	-0.592

	O1	C2	C3	H4	H5	H6	H7
O1		1.4184	1.4184	2.1281	2.1281	2.1281	2.1281
C2	1.4184		1.4649	1.0889	1.0889	2.2146	2.2146
C3	1.4184	1.4649		2.2146	2.2146	1.0889	1.0889
H4	2.1281	1.0889	2.2146		1.8409	3.1359	2.5386
H5	2.1281	1.0889	2.2146	1.8409		2.5386	3.1359
H6	2.1281	2.2146	1.0889	3.1359	2.5386		1.8409
H7	2.1281	2.2146	1.0889	2.5386	3.1359	1.8409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	58.910	O1	C2	H4	115.525
O1	C2	H5	115.525	O1	C3	C2	58.910
O1	C3	H6	115.525	O1	C3	H7	115.525
C2	O1	C3	62.181	C2	C3	H6	119.539
C2	C3	H7	119.539	C3	C2	H4	119.539
C3	C2	H5	119.539	H4	C2	H5	115.410
H6	C3	H7	115.410

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

using model chemistry: wB97X-D/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	-0.449
2	C	-0.044
3	C	-0.044
4	H	0.134
5	H	0.134
6	H	0.134
7	H	0.134

	x	y	z	Total
	0.000	0.000	-2.000	2.000
CHELPG
AIM
ESP

<r²>	36.173
(<r²>)^1/2	6.014

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

using model chemistry: wB97X-D/6-31G**

States and conformations

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