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	hartrees
Energy at 0K
Energy at 298.15K	-0.198648
HF Energy	-0.198648
Nuclear repulsion energy	176.437003

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2706	2874	24.90
2	A₁	2656	2822	47.87
3	A₁	1278	1357	2.52
4	A₁	1103	1172	2.69
5	A₁	1004	1067	43.87
6	A₁	696	739	4.70
7	A₁	365	387	51.25
8	A₂	1274	1354	0.00
9	A₂	1071	1138	0.00
10	A₂	955	1015	0.00
11	E	2703	2871	87.83
11	E	2703	2871	87.83
12	E	2654	2820	15.56
12	E	2654	2820	15.56
13	E	1290	1370	27.42
13	E	1290	1370	27.42
14	E	1272	1352	2.15
14	E	1272	1352	2.15
15	E	1182	1256	104.73
15	E	1182	1256	104.73
16	E	1136	1207	118.49
16	E	1136	1207	118.49
17	E	999	1062	2.08
17	E	999	1062	2.08
18	E	950	1010	85.13
18	E	950	1010	85.13
19	E	488	518	10.86
19	E	488	518	10.86
20	E	228	242	2.46
20	E	228	242	2.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.382	0.185
C2	-1.197	-0.691	0.185
C3	1.197	-0.691	0.185
O4	-1.167	0.674	-0.248
O5	1.167	0.674	-0.248
O6	0.000	-1.348	-0.248
H7	0.000	2.315	-0.404
H8	0.000	1.503	1.278
H9	-2.005	-1.158	-0.404
H10	-1.302	-0.751	1.278
H11	2.005	-1.158	-0.404
H12	1.302	-0.751	1.278

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.3932	2.3932	1.4317	1.4317	2.7633	1.1036	1.1002	3.2886	2.7277	3.2886	2.7277
C2	2.3932		2.3932	1.4317	2.7633	1.4317	3.2886	2.7277	1.1036	1.1002	3.2886	2.7277
C3	2.3932	2.3932		2.7633	1.4317	1.4317	3.2886	2.7277	3.2886	2.7277	1.1036	1.1002
O4	1.4317	1.4317	2.7633		2.3340	2.3340	2.0201	2.0922	2.0201	2.0922	3.6661	3.2331
O5	1.4317	2.7633	1.4317	2.3340		2.3340	2.0201	2.0922	3.6661	3.2331	2.0201	2.0922
O6	2.7633	1.4317	1.4317	2.3340	2.3340		3.6661	3.2331	2.0201	2.0922	2.0201	2.0922
H7	1.1036	3.2886	3.2886	2.0201	2.0201	3.6661		1.8680	4.0101	3.7321	4.0101	3.7321
H8	1.1002	2.7277	2.7277	2.0922	2.0922	3.2331	1.8680		3.7321	2.6032	3.7321	2.6032
H9	3.2886	1.1036	3.2886	2.0201	3.6661	2.0201	4.0101	3.7321		1.8680	4.0101	3.7321
H10	2.7277	1.1002	2.7277	2.0922	3.2331	2.0922	3.7321	2.6032	1.8680		3.7321	2.6032
H11	3.2886	3.2886	1.1036	3.6661	2.0201	2.0201	4.0101	3.7321	4.0101	3.7321		1.8680
H12	2.7277	2.7277	1.1002	3.2331	2.0922	2.0922	3.7321	2.6032	3.7321	2.6032	1.8680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	113.392	C1	O5	C3	113.392
C2	O6	C3	113.391	O4	C1	O5	109.195
O4	C1	H7	104.907	O4	C1	H8	110.762
O4	C2	O6	109.195	O4	C2	H9	104.907
O4	C2	H10	110.762	O5	C1	H7	104.907
O5	C1	H8	110.762	O5	C3	O6	109.195
O5	C3	H11	104.907	O5	C3	H12	110.762
O6	C2	H9	104.907	O6	C2	H10	110.762
O6	C3	H11	104.907	O6	C3	H12	110.762
H7	C1	H8	115.910	H9	C2	H10	115.910
H11	C3	H12	115.910

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

using model chemistry: PM6

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: PM6

States and conformations

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