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	hartrees
Energy at 0K	-339.387290
Energy at 298.15K
HF Energy	-339.387290
Nuclear repulsion energy	232.473149

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	3497	3184	0.43	84.03	0.11	0.19
2	A₁	2059	1875	932.57	8.90	0.51	0.67
3	A₁	1844	1679	7.31	67.14	0.02	0.03
4	A₁	1294	1179	211.70	3.65	0.44	0.61
5	A₁	1213	1104	34.04	14.68	0.25	0.40
6	A₁	1003	913	23.99	8.19	0.09	0.17
7	A₁	806	734	7.75	4.50	0.31	0.48
8	A₂	961	875	0.00	6.79	0.75	0.86
9	A₂	620	564	0.00	2.20	0.75	0.86
10	B₁	895	815	10.35	0.58	0.75	0.86
11	B₁	827	753	110.56	0.02	0.75	0.86
12	B₁	251	228	0.55	0.00	0.75	0.86
13	B₂	3468	3158	14.25	46.02	0.75	0.86
14	B₂	1496	1362	61.99	0.00	0.75	0.86
15	B₂	1225	1116	128.81	0.06	0.75	0.86
16	B₂	1151	1048	11.44	3.06	0.75	0.86
17	B₂	980	892	3.81	2.17	0.75	0.86
18	B₂	576	525	0.05	1.92	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	0.773
O2	0.000	1.945
O3	1.087	-0.013
O4	-1.087	-0.013
C5	0.657	-1.317
C6	-0.657	-1.317
H7	1.395	-2.093
H8	-1.395	-2.093

	C1	O2	O3	O4	C5	C6	H7	H8
C1		1.1719	1.3410	1.3410	2.1914	2.1914	3.1881	3.1881
O2	1.1719		2.2390	2.2390	3.3280	3.3280	4.2726	4.2726
O3	1.3410	2.2390		2.1733	1.3736	2.1779	2.1035	3.2388
O4	1.3410	2.2390	2.1733		2.1779	1.3736	3.2388	2.1035
C5	2.1914	3.3280	1.3736	2.1779		1.3144	1.0709	2.1943
C6	2.1914	3.3280	2.1779	1.3736	1.3144		2.1943	1.0709
H7	3.1881	4.2726	2.1035	3.2388	1.0709	2.1943		2.7907
H8	3.1881	4.2726	3.2388	2.1035	2.1943	1.0709	2.7907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C5	107.655	C1	O4	C6	107.655
O2	C1	O3	125.872	O2	C1	O4	125.872
O3	C1	O4	108.256	O3	C5	C6	108.217
O3	C5	H7	118.213	O4	C6	C5	108.217
O4	C6	H8	118.213	C5	C6	H8	133.570
C6	C5	H7	133.570

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

using model chemistry: HF/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	1.124
2	O	-0.635
3	O	-0.756
4	O	-0.756
5	C	0.737
6	C	0.737
7	H	-0.226
8	H	-0.226

<r²>	112.336
(<r²>)^1/2	10.599

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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