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	hartrees
Energy at 0K	-339.453137
Energy at 298.15K
HF Energy	-339.453137
Nuclear repulsion energy	233.344315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3487	3168	0.22	84.77	0.12	0.21
2	A₁	2084	1894	941.81	8.26	0.50	0.66
3	A₁	1842	1674	4.75	49.02	0.05	0.09
4	A₁	1305	1186	222.65	4.10	0.56	0.72
5	A₁	1228	1116	39.11	14.29	0.28	0.44
6	A₁	1009	917	24.06	8.10	0.12	0.21
7	A₁	813	739	8.12	4.33	0.43	0.60
8	A₂	970	882	0.00	5.32	0.75	0.86
9	A₂	612	556	0.00	3.37	0.75	0.86
10	B₁	888	807	7.23	0.26	0.75	0.86
11	B₁	832	756	116.80	1.45	0.75	0.86
12	B₁	245	222	0.80	0.01	0.75	0.86
13	B₂	3459	3143	15.39	45.42	0.75	0.86
14	B₂	1512	1374	68.60	0.01	0.75	0.86
15	B₂	1230	1118	148.23	0.32	0.75	0.86
16	B₂	1157	1051	9.12	4.25	0.75	0.86
17	B₂	984	894	3.20	2.71	0.75	0.86
18	B₂	584	531	0.00	2.95	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	0.773
O2	0.000	1.938
O3	1.082	-0.013
O4	-1.082	-0.013
C5	0.653	-1.314
C6	-0.653	-1.314
H7	1.389	-2.083
H8	-1.389	-2.083

	C1	O2	O3	O4	C5	C6	H7	H8
C1		1.1648	1.3380	1.3380	2.1868	2.1868	3.1762	3.1762
O2	1.1648		2.2315	2.2315	3.3168	3.3168	4.2544	4.2544
O3	1.3380	2.2315		2.1648	1.3696	2.1686	2.0924	3.2237
O4	1.3380	2.2315	2.1648		2.1686	1.3696	3.2237	2.0924
C5	2.1868	3.3168	1.3696	2.1686		1.3060	1.0647	2.1822
C6	2.1868	3.3168	2.1686	1.3696	1.3060		2.1822	1.0647
H7	3.1762	4.2544	2.0924	3.2237	1.0647	2.1822		2.7782
H8	3.1762	4.2544	3.2237	2.0924	2.1822	1.0647	2.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C5	107.735	C1	O4	C6	107.735
O2	C1	O3	126.006	O2	C1	O4	126.006
O3	C1	O4	107.988	O3	C5	C6	108.271
O3	C5	H7	117.993	O4	C6	C5	108.271
O4	C6	H8	117.993	C5	C6	H8	133.736
C6	C5	H7	133.736

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.489
2	O	-0.400
3	O	-0.205
4	O	-0.205
5	C	0.014
6	C	0.014
7	H	0.147
8	H	0.147

	x	y	z	Total
	0.000	0.000	-5.305	5.305
CHELPG
AIM
ESP

<r²>	111.637
(<r²>)^1/2	10.566

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

using model chemistry: HF/TZVP

States and conformations

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