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	hartrees
Energy at 0K	-265.811134
Energy at 298.15K	-265.819304
HF Energy	-265.306844
Nuclear repulsion energy	188.935093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3188	3043	8.04
2	A	3097	2956	2.05
3	A	3091	2951	84.42
4	A	1643	1568	8.00
5	A	1601	1528	2.07
6	A	1411	1347	9.66
7	A	1265	1207	4.02
8	A	1200	1146	12.09
9	A	1161	1108	0.03
10	A	1075	1026	129.82
11	A	933	891	8.39
12	A	910	868	1.54
13	A	683	652	0.14
14	A	257	245	1.00
15	A	3197	3052	34.42
16	A	3151	3008	58.42
17	A	3100	2959	52.47
18	A	1597	1524	0.93
19	A	1439	1374	0.61
20	A	1367	1305	3.43
21	A	1228	1172	1.29
22	A	1141	1089	15.96
23	A	1043	995	18.78
24	A	932	889	11.34
25	A	851	813	37.59
26	A	621	593	6.69
27	A	61	58	25.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.249
C2	-0.323	0.699	-0.978
C3	0.323	-0.699	-0.978
O4	0.000	1.196	0.384
O5	0.000	-1.196	0.384
H6	0.903	0.051	1.863
H7	-0.903	-0.051	1.863
H8	-1.405	0.623	-1.127
H9	1.405	-0.623	-1.127
H10	-0.121	-1.395	-1.690
H11	0.121	1.395	-1.690

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		2.3566	2.3566	1.4757	1.4757	1.0927	1.0927	2.8296	2.8296	3.2554	3.2554
C2	2.3566		1.5388	1.4860	2.3556	3.1612	2.9951	1.0952	2.1801	2.2203	1.0898
C3	2.3566	1.5388		2.3556	1.4860	2.9951	3.1612	2.1801	1.0952	1.0898	2.2203
O4	1.4757	1.4860	2.3556		2.3914	2.0764	2.1342	2.1414	2.7504	3.3209	2.0871
O5	1.4757	2.3556	1.4860	2.3914		2.1342	2.0764	2.7504	2.1414	2.0871	3.3209
H6	1.0927	3.1612	2.9951	2.0764	2.1342		1.8079	3.8197	3.1056	3.9698	3.8780
H7	1.0927	2.9951	3.1612	2.1342	2.0764	1.8079		3.1056	3.8197	3.8780	3.9698
H8	2.8296	1.0952	2.1801	2.1414	2.7504	3.8197	3.1056		3.0739	2.4573	1.8004
H9	2.8296	2.1801	1.0952	2.7504	2.1414	3.1056	3.8197	3.0739		1.8004	2.4573
H10	3.2554	2.2203	1.0898	3.3209	2.0871	3.9698	3.8780	2.4573	1.8004		2.8006
H11	3.2554	1.0898	2.2203	2.0871	3.3209	3.8780	3.9698	1.8004	2.4573	2.8006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	105.447	C1	O5	C3	105.447
C2	C3	O5	102.283	C2	C3	H9	110.592
C2	C3	H10	114.185	C3	C2	O4	102.283
C3	C2	H8	110.592	C3	C2	H11	114.185
O4	C1	O5	108.245	O4	C1	H6	106.945
O4	C1	H7	111.528	O4	C2	H8	111.214
O4	C2	H11	107.241	O5	C1	H6	111.528
O5	C1	H7	106.945	O5	C3	H9	111.214
O5	C3	H10	107.241	H6	C1	H7	111.649
H8	C2	H11	110.966	H9	C3	H10	110.966

All results from a given calculation for C₃H₆O₂ (1,3-Dioxolane)

using model chemistry: MP2/3-21G

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	ESP
1	H	0.206	0.043
2	H	0.193	0.047
3	C	-0.152	0.146
4	H	0.193	0.049
5	H	0.206	0.045
6	C	-0.153	0.136
7	O	-0.499	-0.454
8	O	-0.499	-0.453
9	H	0.190	0.040
10	H	0.190	0.041
11	C	0.126	0.360

	x	y	z	Total
	1.345	-0.003	0.005	1.345
CHELPG
AIM
ESP	1.352	-0.001	-0.000	1.352

	x	y	z
x	6.039	-0.000	-0.000
y	-0.000	4.414	-0.022
z	-0.000	-0.022	4.490

<r²>	97.524
(<r²>)^1/2	9.875

All results from a given calculation for C3H6O2 (1,3-Dioxolane)

using model chemistry: MP2/3-21G

States and conformations

All results from a given calculation for C₃H₆O₂ (1,3-Dioxolane)