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	hartrees
Energy at 0K	-341.509672
Energy at 298.15K
HF Energy	-340.550528
Nuclear repulsion energy	245.357032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3095	2961	57.59
2	A₁	2004	1917	632.94
3	A₁	1557	1490	4.23
4	A₁	1421	1359	4.50
5	A₁	1264	1209	245.02
6	A₁	982	940	16.57
7	A₁	858	821	41.60
8	A₁	739	707	0.60
9	A₂	3127	2991	0.00
10	A₂	1262	1208	0.00
11	A₂	1180	1129	0.00
12	A₂	183i	175i	0.00
13	B₁	3148	3012	52.20
14	B₁	1281	1225	2.32
15	B₁	864	827	1.77
16	B₁	784	750	25.20
17	B₁	128	122	1.83
18	B₂	3086	2952	29.34
19	B₂	1545	1478	5.11
20	B₂	1433	1371	30.34
21	B₂	1246	1192	11.98
22	B₂	1104	1056	293.13
23	B₂	772	738	0.52
24	B₂	523	501	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.864
O2	0.000	0.000	2.047
O3	0.000	1.134	0.060
O4	0.000	-1.134	0.060
C5	0.000	0.777	-1.284
C6	0.000	-0.777	-1.284
H7	-0.895	1.191	-1.778
H8	0.895	1.191	-1.778
H9	0.895	-1.191	-1.778
H10	-0.895	-1.191	-1.778

	C1	O2	O3	O4	C5	C6	H7	H8	H9	H10
C1		1.1831	1.3899	1.3899	2.2836	2.2836	3.0331	3.0331	3.0331	3.0331
O2	1.1831		2.2879	2.2879	3.4199	3.4199	4.1050	4.1050	4.1050	4.1050
O3	1.3899	2.2879		2.2673	1.3899	2.3353	2.0451	2.0451	3.0956	3.0956
O4	1.3899	2.2879	2.2673		2.3353	1.3899	3.0956	3.0956	2.0451	2.0451
C5	2.2836	3.4199	1.3899	2.3353		1.5533	1.1036	1.1036	2.2175	2.2175
C6	2.2836	3.4199	2.3353	1.3899	1.5533		2.2175	2.2175	1.1036	1.1036
H7	3.0331	4.1050	2.0451	3.0956	1.1036	2.2175		1.7909	2.9799	2.3817
H8	3.0331	4.1050	2.0451	3.0956	1.1036	2.2175	1.7909		2.3817	2.9799
H9	3.0331	4.1050	3.0956	2.0451	2.2175	1.1036	2.9799	2.3817		1.7909
H10	3.0331	4.1050	3.0956	2.0451	2.2175	1.1036	2.3817	2.9799	1.7909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C5	110.467	C1	O4	C6	110.467
O2	C1	O3	125.350	O2	C1	O4	125.350
O3	C1	O4	109.300	O3	C5	C6	104.883
O3	C5	H7	109.672	O3	C5	H8	109.672
O4	C6	C5	104.883	O4	C6	H9	109.672
O4	C6	H10	109.672	C5	C6	H9	112.042
C5	C6	H10	112.042	C6	C5	H7	112.042
C6	C5	H8	112.042	H7	C5	H8	108.470
H9	C6	H10	108.470

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

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

using model chemistry: CCD/cc-pVDZ

States and conformations

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