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	hartrees
Energy at 0K	-341.135748
Energy at 298.15K
HF Energy	-341.135748
Nuclear repulsion energy	229.760529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3354	3214	0.57
2	A₁	1934	1853	712.70
3	A₁	1698	1627	5.60
4	A₁	1203	1153	157.63
5	A₁	1129	1082	11.21
6	A₁	919	880	31.50
7	A₁	748	717	3.71
8	A₂	832	798	0.00
9	A₂	586	562	0.00
10	B₁	789	756	1.53
11	B₁	726	695	91.20
12	B₁	247	237	0.43
13	B₂	3327	3188	10.93
14	B₂	1372	1315	32.99
15	B₂	1114	1067	102.22
16	B₂	1064	1020	22.13
17	B₂	910	872	0.72
18	B₂	527	505	0.01

Atom	y (Å)	z (Å)
C1	0.000	0.781
O2	0.000	1.971
O3	1.104	-0.021
O4	-1.104	-0.021
C5	0.666	-1.326
C6	-0.666	-1.326
H7	1.410	-2.109
H8	-1.410	-2.109

	C1	O2	O3	O4	C5	C6	H7	H8
C1		1.1898	1.3649	1.3649	2.2099	2.2099	3.2159	3.2159
O2	1.1898		2.2776	2.2776	3.3637	3.3637	4.3169	4.3169
O3	1.3649	2.2776		2.2085	1.3768	2.1990	2.1104	3.2682
O4	1.3649	2.2776	2.2085		2.1990	1.3768	3.2682	2.1104
C5	2.2099	3.3637	1.3768	2.1990		1.3312	1.0803	2.2182
C6	2.2099	3.3637	2.1990	1.3768	1.3312		2.2182	1.0803
H7	3.2159	4.3169	2.1104	3.2682	1.0803	2.2182		2.8194
H8	3.2159	4.3169	3.2682	2.1104	2.2182	1.0803	2.8194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C5	107.419	C1	O4	C6	107.419
O2	C1	O3	125.997	O2	C1	O4	125.997
O3	C1	O4	108.005	O3	C5	C6	108.578
O3	C5	H7	117.886	O4	C6	C5	108.578
O4	C6	H8	117.886	C5	C6	H8	133.536
C6	C5	H7	133.536

All results from a given calculation for C₃H₂O₃ (vinylene carbonate)

using model chemistry: mPW1PW91/aug-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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Number	Element	Mulliken
1	C	0.792
2	O	-0.516
3	O	-0.504
4	O	-0.504
5	C	0.679
6	C	0.679
7	H	-0.313
8	H	-0.313

<r²>	114.281
(<r²>)^1/2	10.690

All results from a given calculation for C3H2O3 (vinylene carbonate)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₂O₃ (vinylene carbonate)