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	hartrees
Energy at 0K	-342.835478
Energy at 298.15K
HF Energy	-341.741039
Nuclear repulsion energy	270.684086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3170	3058
2	A₁	2973	2868
3	A₁	1540	1486
4	A₁	1263	1219
5	A₁	1015	979
6	A₁	769	741
7	A₁	487	470
8	A₂	1420	1369
9	A₂	1272	1227
10	A₂	1002	966
11	E	3167	3055
11	E	3167	3055
12	E	2955	2851
12	E	2955	2851
13	E	1523	1469
13	E	1523	1469
14	E	1475	1423
14	E	1475	1423
15	E	1355	1307
15	E	1355	1307
16	E	1213	1170
16	E	1213	1170
17	E	1096	1057
17	E	1096	1057
18	E	983	949
18	E	983	949
19	E	531	512
19	E	531	512
20	E	311	300
20	E	310	299

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.322	0.184
C2	-1.145	-0.661	0.184
C3	1.145	-0.661	0.184
O4	-1.166	0.673	-0.271
O5	1.166	0.673	-0.271
O6	0.000	-1.346	-0.271
H7	0.000	2.329	-0.233
H8	0.000	1.348	1.292
H9	-2.017	-1.165	-0.233
H10	-1.167	-0.674	1.292
H11	2.017	-1.165	-0.233
H12	1.167	-0.674	1.292

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.2895	2.2895	1.4098	1.4098	2.7068	1.0901	1.1075	3.2286	2.5634	3.2286	2.5634
C2	2.2895		2.2895	1.4098	2.7068	1.4098	3.2286	2.5634	1.0901	1.1075	3.2286	2.5634
C3	2.2895	2.2895		2.7068	1.4098	1.4098	3.2286	2.5634	3.2286	2.5634	1.0901	1.1075
O4	1.4098	1.4098	2.7068		2.3320	2.3320	2.0255	2.0630	2.0255	2.0630	3.6756	3.1144
O5	1.4098	2.7068	1.4098	2.3320		2.3320	2.0255	2.0630	3.6756	3.1144	2.0255	2.0630
O6	2.7068	1.4098	1.4098	2.3320	2.3320		3.6756	3.1144	2.0255	2.0630	2.0255	2.0630
H7	1.0901	3.2286	3.2286	2.0255	2.0255	3.6756		1.8128	4.0339	3.5641	4.0339	3.5641
H8	1.1075	2.5634	2.5634	2.0630	2.0630	3.1144	1.8128		3.5641	2.3344	3.5641	2.3344
H9	3.2286	1.0901	3.2286	2.0255	3.6756	2.0255	4.0339	3.5641		1.8128	4.0340	3.5641
H10	2.5634	1.1075	2.5634	2.0630	3.1144	2.0630	3.5641	2.3344	1.8128		3.5641	2.3344
H11	3.2286	3.2286	1.0901	3.6756	2.0255	2.0255	4.0339	3.5641	4.0340	3.5641		1.8128
H12	2.5634	2.5634	1.1075	3.1144	2.0630	2.0630	3.5641	2.3344	3.5641	2.3344	1.8128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	108.581	C1	O5	C3	108.581
C2	O6	C3	108.581	O4	C1	O5	111.597
O4	C1	H7	107.551	O4	C1	H8	109.487
O4	C2	O6	111.596	O4	C2	H9	107.551
O4	C2	H10	109.487	O5	C1	H7	107.551
O5	C1	H8	109.487	O5	C3	O6	111.596
O5	C3	H11	107.551	O5	C3	H12	109.487
O6	C2	H9	107.551	O6	C2	H10	109.487
O6	C3	H11	107.551	O6	C3	H12	109.487
H7	C1	H8	111.152	H9	C2	H10	111.152
H11	C3	H12	111.152

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

using model chemistry: CCSD(T)/6-311G**

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: CCSD(T)/6-311G**

States and conformations

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