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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	¹A₁
1	2	no	C2	¹A

	hartrees
Energy at 0K	-341.925115
Energy at 298.15K
HF Energy	-340.658373
Nuclear repulsion energy	245.073583

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.867
O2	0.000	0.000	2.053
O3	0.000	1.136	0.058
O4	0.000	-1.136	0.058
C5	0.000	0.775	-1.289
C6	0.000	-0.775	-1.289
H7	-0.889	1.184	-1.772
H8	0.889	1.184	-1.772
H9	0.889	-1.184	-1.772
H10	-0.889	-1.184	-1.772

	C1	O2	O3	O4	C5	C6	H7	H8	H9	H10
C1		1.1862	1.3945	1.3945	2.2914	2.2914	3.0261	3.0261	3.0261	3.0261
O2	1.1862		2.2960	2.2960	3.4312	3.4312	4.1018	4.1018	4.1018	4.1018
O3	1.3945	2.2960		2.2711	1.3945	2.3376	2.0348	2.0348	3.0854	3.0854
O4	1.3945	2.2960	2.2711		2.3376	1.3945	3.0854	3.0854	2.0348	2.0348
C5	2.2914	3.4312	1.3945	2.3376		1.5498	1.0914	1.0914	2.2050	2.2050
C6	2.2914	3.4312	2.3376	1.3945	1.5498		2.2050	2.2050	1.0914	1.0914
H7	3.0261	4.1018	2.0348	3.0854	1.0914	2.2050		1.7785	2.9620	2.3687
H8	3.0261	4.1018	2.0348	3.0854	1.0914	2.2050	1.7785		2.3687	2.9620
H9	3.0261	4.1018	3.0854	2.0348	2.2050	1.0914	2.9620	2.3687		1.7785
H10	3.0261	4.1018	3.0854	2.0348	2.2050	1.0914	2.3687	2.9620	1.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C5	110.489	C1	O4	C6	110.489
O2	C1	O3	125.479	O2	C1	O4	125.479
O3	C1	O4	109.042	O3	C5	C6	104.990
O3	C5	H7	109.268	O3	C5	H8	109.268
O4	C6	C5	104.990	O4	C6	H9	109.268
O4	C6	H10	109.268	C5	C6	H9	112.034
C5	C6	H10	112.034	C6	C5	H7	112.034
C6	C5	H8	112.034	H7	C5	H8	109.127
H9	C6	H10	109.127

All results from a given calculation for C₂H₄CO₃ (Ethylene carbonate)

using model chemistry: QCISD(T)/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	hartrees
Energy at 0K	-341.922703
Energy at 298.15K
HF Energy	-340.652768
Nuclear repulsion energy	243.285107

All results from a given calculation for C2H4CO3 (Ethylene carbonate)

using model chemistry: QCISD(T)/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

All results from a given calculation for C₂H₄CO₃ (Ethylene carbonate)