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	hartrees
Energy at 0K	-340.936955
Energy at 298.15K
HF Energy	-340.936955
Nuclear repulsion energy	228.101073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3240	3240	0.32
2	A₁	1863	1863	628.40
3	A₁	1615	1615	4.93
4	A₁	1149	1149	118.53
5	A₁	1086	1086	24.61
6	A₁	862	862	37.63
7	A₁	719	719	2.70
8	A₂	789	789	0.00
9	A₂	568	568	0.00
10	B₁	742	742	0.03
11	B₁	680	680	84.01
12	B₁	239	239	0.38
13	B₂	3216	3216	7.76
14	B₂	1316	1316	19.60
15	B₂	1065	1065	77.50
16	B₂	971	971	44.17
17	B₂	862	862	0.87
18	B₂	505	505	0.05

Atom	y (Å)	z (Å)
C1	0.000	0.791
O2	0.000	1.986
O3	1.116	-0.025
O4	-1.116	-0.025
C5	0.668	-1.334
C6	-0.668	-1.334
H7	1.414	-2.117
H8	-1.414	-2.117

	C1	O2	O3	O4	C5	C6	H7	H8
C1		1.1947	1.3821	1.3821	2.2274	2.2274	3.2337	3.2337
O2	1.1947		2.2992	2.2992	3.3861	3.3861	4.3397	4.3397
O3	1.3821	2.2992		2.2317	1.3838	2.2127	2.1137	3.2832
O4	1.3821	2.2992	2.2317		2.2127	1.3838	3.2832	2.1137
C5	2.2274	3.3861	1.3838	2.2127		1.3358	1.0818	2.2244
C6	2.2274	3.3861	2.2127	1.3838	1.3358		2.2244	1.0818
H7	3.2337	4.3397	2.1137	3.2832	1.0818	2.2244		2.8281
H8	3.2337	4.3397	3.2832	2.1137	2.2244	1.0818	2.8281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C5	107.274	C1	O4	C6	107.274
O2	C1	O3	126.162	O2	C1	O4	126.162
O3	C1	O4	107.676	O3	C5	C6	108.889
O3	C5	H7	117.499	O4	C6	C5	108.889
O4	C6	H8	117.499	C5	C6	H8	133.613
C6	C5	H7	133.613

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

using model chemistry: PBEPBEultrafine/6-311+G(3df,2p)

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	1.229
2	O	-0.717
3	O	-0.575
4	O	-0.575
5	C	0.156
6	C	0.156
7	H	0.162
8	H	0.162

	x	y	z	Total
	0.000	0.000	-4.412	4.412
CHELPG
AIM
ESP

<r²>	115.756
(<r²>)^1/2	10.759

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

using model chemistry: PBEPBEultrafine/6-311+G(3df,2p)

States and conformations

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