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	hartrees
Energy at 0K	-266.717277
Energy at 298.15K	-266.725663
Nuclear repulsion energy	192.310831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3351	3015	20.00
2	A	3296	2966	90.94
3	A	3269	2942	72.67
4	A	1696	1526	2.02
5	A	1673	1505	0.00
6	A	1501	1351	2.47
7	A	1355	1219	11.56
8	A	1304	1173	25.35
9	A	1253	1127	12.00
10	A	1221	1098	226.87
11	A	1040	936	7.11
12	A	989	890	11.25
13	A	773	696	0.00
14	A	218	197	0.73
15	A	3367	3030	111.18
16	A	3360	3024	11.68
17	A	3266	2939	78.61
18	A	1665	1499	4.20
19	A	1544	1390	5.00
20	A	1479	1331	0.25
21	A	1317	1185	4.18
22	A	1224	1102	21.99
23	A	1161	1044	53.60
24	A	1002	902	49.64
25	A	943	849	47.71
26	A	712	641	8.63
27	A	85	77	44.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.249
C2	-0.244	0.727	-0.977
C3	0.244	-0.727	-0.977
O4	0.000	1.147	0.386
O5	0.000	-1.147	0.386
H6	0.891	0.026	1.854
H7	-0.891	-0.026	1.854
H8	-1.300	0.799	-1.197
H9	1.300	-0.799	-1.197
H10	-0.313	-1.376	-1.631
H11	0.313	1.376	-1.631

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		2.3543	2.3543	1.4351	1.4351	1.0774	1.0774	2.8828	2.8828	3.2069	3.2069
C2	2.3543		1.5340	1.4471	2.3301	3.1295	2.9996	1.0811	2.1826	2.2032	1.0767
C3	2.3543	1.5340		2.3301	1.4471	2.9996	3.1295	2.1826	1.0811	1.0767	2.2032
O4	1.4351	1.4471	2.3301		2.2937	2.0506	2.0791	2.0779	2.8255	3.2451	2.0540
O5	1.4351	2.3301	1.4471	2.2937		2.0791	2.0506	2.8255	2.0779	2.0540	3.2451
H6	1.0774	3.1295	2.9996	2.0506	2.0791		1.7835	3.8349	3.1862	3.9442	3.7813
H7	1.0774	2.9996	3.1295	2.0791	2.0506	1.7835		3.1862	3.8349	3.7813	3.9442
H8	2.8828	1.0811	2.1826	2.0779	2.8255	3.8349	3.1862		3.0527	2.4276	1.7677
H9	2.8828	2.1826	1.0811	2.8255	2.0779	3.1862	3.8349	3.0527		1.7677	2.4276
H10	3.2069	2.2032	1.0767	3.2451	2.0540	3.9442	3.7813	2.4276	1.7677		2.8220
H11	3.2069	1.0767	2.2032	2.0540	3.2451	3.7813	3.9442	1.7677	2.4276	2.8220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	109.537	C1	O5	C3	109.537
C2	C3	O5	102.780	C2	C3	H9	111.988
C2	C3	H10	113.967	C3	C2	O4	102.780
C3	C2	H8	111.988	C3	C2	H11	113.967
O4	C1	O5	106.094	O4	C1	H6	108.561
O4	C1	H7	110.882	O4	C2	H8	109.699
O4	C2	H11	108.045	O5	C1	H6	110.882
O5	C1	H7	108.561	O5	C3	H9	109.699
O5	C3	H10	108.045	H6	C1	H7	111.720
H8	C2	H11	110.013	H9	C3	H10	110.013

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

using model chemistry: HF/LANL2DZ

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	0.113
2	C	-0.113
3	C	-0.113
4	O	-0.510
5	O	-0.510
6	H	0.191
7	H	0.191
8	H	0.180
9	H	0.180
10	H	0.197
11	H	0.197

	x	y	z
x	4.244	-0.054	0.000
y	-0.054	4.416	0.000
z	0.000	0.000	5.682

<r²>	95.632
(<r²>)^1/2	9.779

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

using model chemistry: HF/LANL2DZ

States and conformations

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