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

	hartrees
Energy at 0K	-341.515029
Energy at 298.15K
HF Energy	-340.521614
Nuclear repulsion energy	243.683502

	hartrees
Energy at 0K	-341.516553
Energy at 298.15K	-341.522944
HF Energy	-340.521790
Nuclear repulsion energy	244.621199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3141	3020
2	A	3061	2943
3	A	1911	1838
4	A	1576	1515
5	A	1425	1370
6	A	1273	1224
7	A	1213	1166
8	A	1165	1120
9	A	976	939
10	A	808	777
11	A	712	684
12	A	173	166
13	B	3151	3030
14	B	3065	2947
15	B	1568	1508
16	B	1416	1362
17	B	1281	1232
18	B	1172	1127
19	B	1042	1002
20	B	919	884
21	B	749	720
22	B	674	648
23	B	495	476
24	B	150	145

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.864
O2	0.000	0.000	2.062
O3	0.000	1.139	0.042
O4	0.000	-1.139	0.042
C5	0.229	0.731	-1.283
C6	-0.229	-0.731	-1.283
H7	-0.349	1.369	-1.959
H8	1.299	0.823	-1.519
H9	0.349	-1.369	-1.959
H10	-1.299	-0.823	-1.519

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

using model chemistry: MP4=FULL/6-31G*

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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	C1	O2	O3	O4	C5	C6	H7	H8	H9	H10
C1		1.1987	1.4047	1.4047	2.2790	2.2790	3.1564	2.8361	3.1564	2.8361
O2	1.1987		2.3196	2.3196	3.4316	3.4316	4.2622	3.8978	4.2622	3.8978
O3	1.4047	2.3196		2.2784	1.4047	2.3031	2.0438	2.0555	3.2275	2.8238
O4	1.4047	2.3196	2.2784		2.3031	1.4047	3.2275	2.8238	2.0438	2.0555
C5	2.2790	3.4316	1.4047	2.3031		1.5320	1.0949	1.0999	2.2097	2.1921
C6	2.2790	3.4316	2.3031	1.4047	1.5320		2.2097	2.1921	1.0949	1.0999
H7	3.1564	4.2622	2.0438	3.2275	1.0949	2.2097		1.7913	2.8262	2.4292
H8	2.8361	3.8978	2.0555	2.8238	1.0999	2.1921	1.7913		2.4292	3.0756
H9	3.1564	4.2622	3.2275	2.0438	2.2097	1.0949	2.8262	2.4292		1.7913
H10	2.8361	3.8978	2.8238	2.0555	2.1921	1.0999	2.4292	3.0756	1.7913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C5	108.421	C1	O4	C6	108.421
O2	C1	O3	125.810	O2	C1	O4	125.810
O3	C1	O4	108.380	O3	C5	C6	103.212
O3	C5	H7	109.069	O3	C5	H8	109.708
O4	C6	C5	103.212	O4	C6	H9	109.069
O4	C6	H10	109.708	C5	C6	H9	113.486
C5	C6	H10	111.744	C6	C5	H7	113.486
C6	C5	H8	111.744	H7	C5	H8	109.409
H9	C6	H10	109.409

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

using model chemistry: MP4=FULL/6-31G*

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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