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	hartrees
Energy at 0K	-153.822828
Energy at 298.15K
HF Energy	-153.822828
Nuclear repulsion energy	74.813960

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	3095	3095	19.21	262.03	0.06	0.12
2	A₁	1532	1532	2.91	2.71	0.33	0.50
3	A₁	1298	1298	13.25	31.80	0.11	0.20
4	A₁	1134	1134	0.01	3.81	0.15	0.26
5	A₁	897	897	69.90	8.02	0.74	0.85
6	A₂	3179	3179	0.00	122.09	0.75	0.86
7	A₂	1163	1163	0.00	0.88	0.75	0.86
8	A₂	1033	1033	0.00	0.01	0.75	0.86
9	B₁	3195	3195	51.33	24.82	0.75	0.86
10	B₁	1150	1150	3.52	3.53	0.75	0.86
11	B₁	803	803	0.10	3.29	0.75	0.86
12	B₂	3089	3089	44.53	11.42	0.75	0.86
13	B₂	1496	1496	0.00	3.46	0.75	0.86
14	B₂	1141	1141	0.10	0.43	0.75	0.86
15	B₂	840	840	11.02	3.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.861
C2	0.000	0.735	-0.377
C3	0.000	-0.735	-0.377
H4	0.926	1.274	-0.590
H5	-0.926	1.274	-0.590
H6	-0.926	-1.274	-0.590
H7	0.926	-1.274	-0.590

	O1	C2	C3	H4	H5	H6	H7
O1		1.4400	1.4400	2.1412	2.1412	2.1412	2.1412
C2	1.4400		1.4700	1.0921	1.0921	2.2219	2.2219
C3	1.4400	1.4700		2.2219	2.2219	1.0921	1.0921
H4	2.1412	1.0921	2.2219		1.8519	3.1492	2.5471
H5	2.1412	1.0921	2.2219	1.8519		2.5471	3.1492
H6	2.1412	2.2219	1.0921	3.1492	2.5471		1.8519
H7	2.1412	2.2219	1.0921	2.5471	3.1492	1.8519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	59.308	O1	C2	H4	114.784
O1	C2	H5	114.784	O1	C3	C2	59.308
O1	C3	H6	114.784	O1	C3	H7	114.784
C2	O1	C3	61.383	C2	C3	H6	119.546
C2	C3	H7	119.546	C3	C2	H4	119.546
C3	C2	H5	119.546	H4	C2	H5	115.962
H6	C3	H7	115.962

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

using model chemistry: TPSSh/daug-cc-pVDZ

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	-0.610
2	C	1.505
3	C	1.505
4	H	-0.600
5	H	-0.600
6	H	-0.600
7	H	-0.600

	x	y	z	Total
	0.000	0.000	-1.880	1.880
CHELPG
AIM
ESP

<r²>	36.872
(<r²>)^1/2	6.072

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

using model chemistry: TPSSh/daug-cc-pVDZ

States and conformations

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