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	hartrees
Energy at 0K	-341.652285
Energy at 298.15K
HF Energy	-340.642262
Nuclear repulsion energy	246.271221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3111	2950	56.89
2	A₁	1985	1882	667.40
3	A₁	1592	1509	3.42
4	A₁	1449	1373	1.49
5	A₁	1258	1192	261.97
6	A₁	977	927	15.78
7	A₁	851	807	47.68
8	A₁	742	704	0.81
9	A₂	3142	2979	0.00
10	A₂	1270	1204	0.00
11	A₂	1203	1141	0.00
12	A₂	209i	198i	0.00
13	B₁	3164	2999	43.75
14	B₁	1305	1237	2.36
15	B₁	874	829	1.75
16	B₁	767	727	29.21
17	B₁	113	107	2.62
18	B₂	3104	2943	23.01
19	B₂	1577	1495	4.37
20	B₂	1455	1379	19.03
21	B₂	1246	1181	8.48
22	B₂	1081	1025	318.09
23	B₂	768	728	1.96
24	B₂	526	498	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.863
O2	0.000	0.000	2.040
O3	0.000	1.130	0.059
O4	0.000	-1.130	0.059
C5	0.000	0.774	-1.282
C6	0.000	-0.774	-1.282
H7	-0.888	1.181	-1.766
H8	0.888	1.181	-1.766
H9	0.888	-1.181	-1.766
H10	-0.888	-1.181	-1.766

	C1	O2	O3	O4	C5	C6	H7	H8	H9	H10
C1		1.1765	1.3872	1.3872	2.2802	2.2802	3.0159	3.0159	3.0159	3.0159
O2	1.1765		2.2805	2.2805	3.4103	3.4103	4.0824	4.0824	4.0824	4.0824
O3	1.3872	2.2805		2.2606	1.3872	2.3289	2.0301	2.0301	3.0758	3.0758
O4	1.3872	2.2805	2.2606		2.3289	1.3872	3.0758	3.0758	2.0301	2.0301
C5	2.2802	3.4103	1.3872	2.3289		1.5479	1.0900	1.0900	2.2009	2.2009
C6	2.2802	3.4103	2.3289	1.3872	1.5479		2.2009	2.2009	1.0900	1.0900
H7	3.0159	4.0824	2.0301	3.0758	1.0900	2.2009		1.7754	2.9546	2.3617
H8	3.0159	4.0824	2.0301	3.0758	1.0900	2.2009	1.7754		2.3617	2.9546
H9	3.0159	4.0824	3.0758	2.0301	2.2009	1.0900	2.9546	2.3617		1.7754
H10	3.0159	4.0824	3.0758	2.0301	2.2009	1.0900	2.3617	2.9546	1.7754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C5	110.546	C1	O4	C6	110.546
O2	C1	O3	125.431	O2	C1	O4	125.431
O3	C1	O4	109.137	O3	C5	C6	104.885
O3	C5	H7	109.486	O3	C5	H8	109.486
O4	C6	C5	104.885	O4	C6	H9	109.486
O4	C6	H10	109.486	C5	C6	H9	111.917
C5	C6	H10	111.917	C6	C5	H7	111.917
C6	C5	H8	111.917	H7	C5	H8	109.051
H9	C6	H10	109.051

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

using model chemistry: CCD/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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All results from a given calculation for C2H4CO3 (Ethylene carbonate)

using model chemistry: CCD/TZVP

States and conformations

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