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	hartrees
Energy at 0K	-342.706272
Energy at 298.15K
HF Energy	-341.669257
Nuclear repulsion energy	269.336062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3224	3094
2	A₁	3024	2902
3	A₁	1561	1498
4	A₁	1257	1206
5	A₁	1004	963
6	A₁	755	724
7	A₁	473	454
8	A₂	1410	1353
9	A₂	1262	1211
10	A₂	986	946
11	E	3221	3091
11	E	3221	3091
12	E	3010	2888
12	E	3010	2888
13	E	1542	1479
13	E	1542	1479
14	E	1458	1399
14	E	1458	1399
15	E	1344	1290
15	E	1344	1289
16	E	1205	1156
16	E	1205	1156
17	E	1088	1044
17	E	1088	1044
18	E	961	922
18	E	960	922
19	E	521	500
19	E	521	500
20	E	301	289
20	E	300	288

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.335	0.185
C2	-1.157	-0.668	0.185
C3	1.157	-0.668	0.185
O4	-1.170	0.675	-0.270
O5	1.170	0.675	-0.270
O6	0.000	-1.351	-0.270
H7	0.000	2.335	-0.239
H8	0.000	1.366	1.287
H9	-2.022	-1.167	-0.239
H10	-1.183	-0.683	1.287
H11	2.022	-1.167	-0.239
H12	1.183	-0.683	1.287

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.3130	2.3130	1.4183	1.4183	2.7246	1.0860	1.1023	3.2456	2.5858	3.2456	2.5858
C2	2.3130		2.3130	1.4183	2.7246	1.4183	3.2456	2.5858	1.0860	1.1023	3.2456	2.5858
C3	2.3130	2.3130		2.7246	1.4183	1.4183	3.2456	2.5858	3.2456	2.5858	1.0860	1.1023
O4	1.4183	1.4183	2.7246		2.3399	2.3399	2.0307	2.0663	2.0307	2.0663	3.6860	3.1313
O5	1.4183	2.7246	1.4183	2.3399		2.3399	2.0307	2.0663	3.6860	3.1313	2.0307	2.0663
O6	2.7246	1.4183	1.4183	2.3399	2.3399		3.6860	3.1313	2.0307	2.0663	2.0307	2.0663
H7	1.0860	3.2456	3.2456	2.0307	2.0307	3.6860		1.8082	4.0443	3.5828	4.0443	3.5828
H8	1.1023	2.5858	2.5858	2.0663	2.0663	3.1313	1.8082		3.5828	2.3655	3.5828	2.3655
H9	3.2456	1.0860	3.2456	2.0307	3.6860	2.0307	4.0443	3.5828		1.8082	4.0443	3.5828
H10	2.5858	1.1023	2.5858	2.0663	3.1313	2.0663	3.5828	2.3655	1.8082		3.5828	2.3655
H11	3.2456	3.2456	1.0860	3.6860	2.0307	2.0307	4.0443	3.5828	4.0443	3.5828		1.8082
H12	2.5858	2.5858	1.1023	3.1313	2.0663	2.0663	3.5828	2.3655	3.5828	2.3655	1.8082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	109.260	C1	O5	C3	109.260
C2	O6	C3	109.260	O4	C1	O5	111.157
O4	C1	H7	107.628	O4	C1	H8	109.489
O4	C2	O6	111.157	O4	C2	H9	107.628
O4	C2	H10	109.489	O5	C1	H7	107.628
O5	C1	H8	109.489	O5	C3	O6	111.157
O5	C3	H11	107.628	O5	C3	H12	109.489
O6	C2	H9	107.628	O6	C2	H10	109.489
O6	C3	H11	107.628	O6	C3	H12	109.489
H7	C1	H8	111.435	H9	C2	H10	111.435
H11	C3	H12	111.435

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

using model chemistry: CCSD(T)/6-31+G**

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)/6-31+G**

States and conformations

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