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	hartrees
Energy at 0K	-339.482674
Energy at 298.15K
HF Energy	-339.482674
Nuclear repulsion energy	233.590280

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	3481	3155	0.11	86.43	0.11	0.19
2	A₁	2074	1880	918.32	7.92	0.52	0.68
3	A₁	1841	1668	5.97	48.12	0.05	0.09
4	A₁	1307	1185	216.92	3.78	0.54	0.70
5	A₁	1227	1112	36.80	14.55	0.25	0.40
6	A₁	1012	917	23.32	8.03	0.11	0.20
7	A₁	811	735	7.58	4.01	0.37	0.54
8	A₂	988	895	0.00	6.03	0.75	0.86
9	A₂	626	567	0.00	2.62	0.75	0.86
10	B₁	903	818	8.63	0.42	0.75	0.86
11	B₁	837	758	108.17	0.57	0.75	0.86
12	B₁	251	228	0.56	0.00	0.75	0.86
13	B₂	3453	3129	12.13	45.96	0.75	0.86
14	B₂	1513	1371	62.41	0.00	0.75	0.86
15	B₂	1234	1118	135.74	0.09	0.75	0.86
16	B₂	1158	1050	8.90	3.28	0.75	0.86
17	B₂	984	892	4.12	2.43	0.75	0.86
18	B₂	584	529	0.01	2.33	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	0.771
O2	0.000	1.936
O3	1.081	-0.013
O4	-1.081	-0.013
C5	0.653	-1.312
C6	-0.653	-1.312
H7	1.386	-2.083
H8	-1.386	-2.083

	C1	O2	O3	O4	C5	C6	H7	H8
C1		1.1649	1.3357	1.3357	2.1832	2.1832	3.1727	3.1727
O2	1.1649		2.2290	2.2290	3.3131	3.3131	4.2511	4.2511
O3	1.3357	2.2290		2.1624	1.3677	2.1668	2.0919	3.2205
O4	1.3357	2.2290	2.1624		2.1668	1.3677	3.2205	2.0919
C5	2.1832	3.3131	1.3677	2.1668		1.3062	1.0637	2.1801
C6	2.1832	3.3131	2.1668	1.3677	1.3062		2.1801	1.0637
H7	3.1727	4.2511	2.0919	3.2205	1.0637	2.1801		2.7726
H8	3.1727	4.2511	3.2205	2.0919	2.1801	1.0637	2.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C5	107.713	C1	O4	C6	107.713
O2	C1	O3	125.955	O2	C1	O4	125.955
O3	C1	O4	108.089	O3	C5	C6	108.242
O3	C5	H7	118.180	O4	C6	C5	108.242
O4	C6	H8	118.180	C5	C6	H8	133.578
C6	C5	H7	133.578

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

using model chemistry: HF/Def2TZVPP

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	0.643
2	O	-0.398
3	O	-0.329
4	O	-0.329
5	C	0.076
6	C	0.076
7	H	0.131
8	H	0.131

	x	y	z	Total
	0.000	0.000	-5.117	5.117
CHELPG
AIM
ESP

<r²>	111.284
(<r²>)^1/2	10.549

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

using model chemistry: HF/Def2TZVPP

States and conformations

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