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	hartrees
Energy at 0K	-266.866866
Energy at 298.15K	-266.875014
Nuclear repulsion energy	189.958943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3145	3035	11.14
2	A	3045	2938	0.03
3	A	3035	2928	110.14
4	A	1604	1547	5.90
5	A	1562	1507	1.35
6	A	1381	1333	9.61
7	A	1248	1204	5.85
8	A	1176	1135	21.86
9	A	1138	1098	0.31
10	A	1068	1030	136.31
11	A	929	896	9.00
12	A	915	883	2.46
13	A	692	668	0.41
14	A	251	242	0.82
15	A	3151	3041	34.41
16	A	3083	2974	72.85
17	A	3051	2944	62.01
18	A	1559	1505	1.61
19	A	1415	1365	0.48
20	A	1342	1295	2.60
21	A	1209	1167	0.82
22	A	1115	1076	12.34
23	A	1021	985	19.22
24	A	915	883	15.58
25	A	855	825	43.52
26	A	627	605	5.60
27	A	62	60	24.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.243
C2	-0.311	0.702	-0.973
C3	0.311	-0.702	-0.973
O4	0.000	1.184	0.384
O5	0.000	-1.184	0.384
H6	0.901	0.053	1.862
H7	-0.901	-0.053	1.862
H8	-1.393	0.647	-1.141
H9	1.393	-0.647	-1.141
H10	-0.153	-1.391	-1.679
H11	0.153	1.391	-1.679

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		2.3456	2.3456	1.4629	1.4629	1.0947	1.0947	2.8356	2.8356	3.2402	3.2402
C2	2.3456		1.5347	1.4732	2.3438	3.1509	2.9930	1.0966	2.1789	2.2140	1.0902
C3	2.3456	1.5347		2.3438	1.4732	2.9930	3.1509	2.1789	1.0966	1.0902	2.2140
O4	1.4629	1.4732	2.3438		2.3676	2.0677	2.1280	2.1336	2.7594	3.3028	2.0790
O5	1.4629	2.3438	1.4732	2.3676		2.1280	2.0677	2.7594	2.1336	2.0790	3.3028
H6	1.0947	3.1509	2.9930	2.0677	2.1280		1.8061	3.8250	3.1220	3.9673	3.8585
H7	1.0947	2.9930	3.1509	2.1280	2.0677	1.8061		3.1220	3.8250	3.8585	3.9673
H8	2.8356	1.0966	2.1789	2.1336	2.7594	3.8250	3.1220		3.0713	2.4449	1.7987
H9	2.8356	2.1789	1.0966	2.7594	2.1336	3.1220	3.8250	3.0713		1.7987	2.4449
H10	3.2402	2.2140	1.0902	3.3028	2.0790	3.9673	3.8585	2.4449	1.7987		2.7985
H11	3.2402	1.0902	2.2140	2.0790	3.3028	3.8585	3.9673	1.7987	2.4449	2.7985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	106.042	C1	O5	C3	106.042
C2	C3	O5	102.354	C2	C3	H9	110.700
C2	C3	H10	113.940	C3	C2	O4	102.354
C3	C2	H8	110.700	C3	C2	H11	113.940
O4	C1	O5	108.042	O4	C1	H6	107.012
O4	C1	H7	111.813	O4	C2	H8	111.405
O4	C2	H11	107.454	O5	C1	H6	111.813
O5	C1	H7	107.012	O5	C3	H9	111.405
O5	C3	H10	107.454	H6	C1	H7	111.161
H8	C2	H11	110.676	H9	C3	H10	110.676

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

using model chemistry: B3LYP/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	C	0.094	0.041
2	C	-0.169	0.047
3	C	-0.169	0.139
4	O	-0.485	0.048
5	O	-0.485	0.042
6	H	0.198	0.138
7	H	0.198	-0.440
8	H	0.198	-0.440
9	H	0.198	0.041
10	H	0.211	0.041
11	H	0.211	0.343

	x	y	z	Total
	0.000	0.000	-1.316	1.316
CHELPG
AIM
ESP	1.322	-0.003	0.004	1.322

	x	y	z
x	4.587	-0.034	0.000
y	-0.034	4.494	0.000
z	0.000	0.000	6.215

<r²>	96.557
(<r²>)^1/2	9.826

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

using model chemistry: B3LYP/3-21G

States and conformations

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