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	hartrees
Energy at 0K	-342.128865
Energy at 298.15K
HF Energy	-341.475803
Nuclear repulsion energy	262.976102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3220	3220	9.13
2	A₁	3006	3006	153.29
3	A₁	1576	1576	6.81
4	A₁	1236	1236	12.73
5	A₁	952	952	87.91
6	A₁	720	720	1.86
7	A₁	421	421	30.60
8	A₂	1408	1408	0.00
9	A₂	1238	1238	0.00
10	A₂	981	981	0.00
11	E	3215	3215	16.55
11	E	3215	3215	16.55
12	E	2995	2995	17.04
12	E	2995	2995	17.04
13	E	1556	1556	0.00
13	E	1556	1556	0.00
14	E	1453	1453	18.82
14	E	1453	1453	18.82
15	E	1317	1317	0.02
15	E	1317	1317	0.02
16	E	1162	1162	154.35
16	E	1162	1162	154.35
17	E	1051	1051	86.54
17	E	1051	1051	86.54
18	E	898	898	23.60
18	E	898	898	23.60
19	E	505	505	14.39
19	E	505	505	14.39
20	E	272	272	0.32
20	E	272	272	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.382	0.184
C2	-1.197	-0.691	0.184
C3	1.197	-0.691	0.184
O4	-1.199	0.692	-0.264
O5	1.199	0.692	-0.264
O6	0.000	-1.384	-0.264
H7	0.000	2.366	-0.281
H8	0.000	1.447	1.288
H9	-2.049	-1.183	-0.281
H10	-1.253	-0.723	1.288
H11	2.049	-1.183	-0.281
H12	1.253	-0.723	1.288

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.3933	2.3933	1.4537	1.4537	2.8020	1.0889	1.1063	3.3157	2.6873	3.3157	2.6873
C2	2.3933		2.3933	1.4537	2.8020	1.4537	3.3157	2.6873	1.0889	1.1063	3.3157	2.6873
C3	2.3933	2.3933		2.8020	1.4537	1.4537	3.3157	2.6873	3.3157	2.6873	1.0889	1.1063
O4	1.4537	1.4537	2.8020		2.3976	2.3976	2.0591	2.1016	2.0591	2.1016	3.7505	3.2288
O5	1.4537	2.8020	1.4537	2.3976		2.3976	2.0591	2.1016	3.7505	3.2288	2.0591	2.1016
O6	2.8020	1.4537	1.4537	2.3976	2.3976		3.7505	3.2288	2.0591	2.1016	2.0591	2.1016
H7	1.0889	3.3157	3.3157	2.0591	2.0591	3.7505		1.8190	4.0984	3.6851	4.0984	3.6851
H8	1.1063	2.6873	2.6873	2.1016	2.1016	3.2288	1.8190		3.6851	2.5061	3.6851	2.5061
H9	3.3157	1.0889	3.3157	2.0591	3.7505	2.0591	4.0984	3.6851		1.8190	4.0984	3.6851
H10	2.6873	1.1063	2.6873	2.1016	3.2288	2.1016	3.6851	2.5061	1.8190		3.6851	2.5061
H11	3.3157	3.3157	1.0889	3.7505	2.0591	2.0591	4.0984	3.6851	4.0984	3.6851		1.8190
H12	2.6873	2.6873	1.1063	3.2288	2.1016	2.1016	3.6851	2.5061	3.6851	2.5061	1.8190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	110.800	C1	O5	C3	110.800
C2	O6	C3	110.800	O4	C1	O5	111.101
O4	C1	H7	107.290	O4	C1	H8	109.607
O4	C2	O6	111.101	O4	C2	H9	107.290
O4	C2	H10	109.607	O5	C1	H7	107.290
O5	C1	H8	109.607	O5	C3	O6	111.101
O5	C3	H11	107.290	O5	C3	H12	109.607
O6	C2	H9	107.290	O6	C2	H10	109.607
O6	C3	H11	107.290	O6	C3	H12	109.607
H7	C1	H8	111.920	H9	C2	H10	111.920
H11	C3	H12	111.920

All results from a given calculation for C₃H₆O₃ (1,3,5-Trioxane)

using model chemistry: MP3=FULL/6-31G

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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All results from a given calculation for C3H6O3 (1,3,5-Trioxane)

using model chemistry: MP3=FULL/6-31G

States and conformations

All results from a given calculation for C₃H₆O₃ (1,3,5-Trioxane)