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	hartrees
Energy at 0K	-341.684227
Energy at 298.15K
HF Energy	-340.563372
Nuclear repulsion energy	246.779069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3116	2951	47.55
2	A₁	2011	1905	604.24
3	A₁	1589	1505	3.92
4	A₁	1437	1362	1.19
5	A₁	1272	1205	240.76
6	A₁	985	933	12.09
7	A₁	866	821	36.56
8	A₁	745	706	0.67
9	A₂	3147	2981	0.00
10	A₂	1286	1218	0.00
11	A₂	1201	1138	0.00
12	A₂	182i	173i	0.00
13	B₁	3168	3001	35.57
14	B₁	1304	1235	1.89
15	B₁	875	829	1.35
16	B₁	804	761	25.83
17	B₁	131	124	1.64
18	B₂	3109	2945	20.98
19	B₂	1578	1494	3.44
20	B₂	1454	1377	17.48
21	B₂	1257	1191	12.50
22	B₂	1104	1046	278.36
23	B₂	774	733	0.20
24	B₂	525	497	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.860
O2	0.000	0.000	2.036
O3	0.000	1.126	0.059
O4	0.000	-1.126	0.059
C5	0.000	0.774	-1.278
C6	0.000	-0.774	-1.278
H7	-0.887	1.184	-1.765
H8	0.887	1.184	-1.765
H9	0.887	-1.184	-1.765
H10	-0.887	-1.184	-1.765

	C1	O2	O3	O4	C5	C6	H7	H8	H9	H10
C1		1.1761	1.3821	1.3821	2.2735	2.2735	3.0135	3.0135	3.0135	3.0135
O2	1.1761		2.2754	2.2754	3.4030	3.4030	4.0793	4.0793	4.0793	4.0793
O3	1.3821	2.2754		2.2524	1.3821	2.3235	2.0293	2.0293	3.0745	3.0745
O4	1.3821	2.2754	2.2524		2.3235	1.3821	3.0745	3.0745	2.0293	2.0293
C5	2.2735	3.4030	1.3821	2.3235		1.5488	1.0918	1.0918	2.2046	2.2046
C6	2.2735	3.4030	2.3235	1.3821	1.5488		2.2046	2.2046	1.0918	1.0918
H7	3.0135	4.0793	2.0293	3.0745	1.0918	2.2046		1.7733	2.9586	2.3683
H8	3.0135	4.0793	2.0293	3.0745	1.0918	2.2046	1.7733		2.3683	2.9586
H9	3.0135	4.0793	3.0745	2.0293	2.2046	1.0918	2.9586	2.3683		1.7733
H10	3.0135	4.0793	3.0745	2.0293	2.2046	1.0918	2.3683	2.9586	1.7733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C5	110.676	C1	O4	C6	110.676
O2	C1	O3	125.424	O2	C1	O4	125.424
O3	C1	O4	109.152	O3	C5	C6	104.748
O3	C5	H7	109.669	O3	C5	H8	109.669
O4	C6	C5	104.748	O4	C6	H9	109.669
O4	C6	H10	109.669	C5	C6	H9	112.042
C5	C6	H10	112.042	C6	C5	H7	112.042
C6	C5	H8	112.042	H7	C5	H8	108.602
H9	C6	H10	108.602

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

using model chemistry: CCD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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