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	hartrees
Energy at 0K	-342.681515
Energy at 298.15K
HF Energy	-341.660013
Nuclear repulsion energy	269.897873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3217	3051
2	A₁	3020	2865
3	A₁	1575	1494
4	A₁	1271	1205
5	A₁	1017	965
6	A₁	762	723
7	A₁	477	453
8	A₂	1415	1342
9	A₂	1266	1201
10	A₂	999	948
11	E	3213	3047
11	E	3213	3047
12	E	3003	2848
12	E	3003	2848
13	E	1554	1474
13	E	1554	1474
14	E	1473	1397
14	E	1473	1397
15	E	1352	1282
15	E	1351	1282
16	E	1214	1151
16	E	1214	1151
17	E	1102	1045
17	E	1102	1045
18	E	978	927
18	E	977	927
19	E	528	501
19	E	527	500
20	E	303	288
20	E	302	287

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.329	0.185
C2	-1.151	-0.664	0.185
C3	1.151	-0.664	0.185
O4	-1.169	0.675	-0.271
O5	1.169	0.675	-0.271
O6	0.000	-1.350	-0.271
H7	0.000	2.332	-0.232
H8	0.000	1.359	1.288
H9	-2.020	-1.166	-0.232
H10	-1.177	-0.680	1.288
H11	2.020	-1.166	-0.232
H12	1.177	-0.680	1.288

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.3013	2.3013	1.4149	1.4149	2.7173	1.0865	1.1029	3.2366	2.5757	3.2366	2.5757
C2	2.3013		2.3013	1.4149	2.7173	1.4149	3.2366	2.5757	1.0865	1.1029	3.2366	2.5757
C3	2.3013	2.3013		2.7173	1.4149	1.4149	3.2366	2.5757	3.2366	2.5757	1.0865	1.1029
O4	1.4149	1.4149	2.7173		2.3384	2.3384	2.0283	2.0648	2.0283	2.0648	3.6823	3.1254
O5	1.4149	2.7173	1.4149	2.3384		2.3384	2.0283	2.0648	3.6823	3.1254	2.0283	2.0648
O6	2.7173	1.4149	1.4149	2.3384	2.3384		3.6823	3.1254	2.0283	2.0648	2.0283	2.0648
H7	1.0865	3.2366	3.2366	2.0283	2.0283	3.6823		1.8041	4.0391	3.5726	4.0391	3.5726
H8	1.1029	2.5757	2.5757	2.0648	2.0648	3.1254	1.8041		3.5726	2.3542	3.5726	2.3542
H9	3.2366	1.0865	3.2366	2.0283	3.6823	2.0283	4.0391	3.5726		1.8041	4.0391	3.5726
H10	2.5757	1.1029	2.5757	2.0648	3.1254	2.0648	3.5726	2.3542	1.8041		3.5726	2.3542
H11	3.2366	3.2366	1.0865	3.6823	2.0283	2.0283	4.0391	3.5726	4.0391	3.5726		1.8041
H12	2.5757	2.5757	1.1029	3.1254	2.0648	2.0648	3.5726	2.3542	3.5726	2.3542	1.8041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	108.824	C1	O5	C3	108.824
C2	O6	C3	108.824	O4	C1	O5	111.450
O4	C1	H7	107.637	O4	C1	H8	109.560
O4	C2	O6	111.450	O4	C2	H9	107.637
O4	C2	H10	109.560	O5	C1	H7	107.637
O5	C1	H8	109.560	O5	C3	O6	111.450
O5	C3	H11	107.637	O5	C3	H12	109.560
O6	C2	H9	107.637	O6	C2	H10	109.560
O6	C3	H11	107.637	O6	C3	H12	109.560
H7	C1	H8	110.976	H9	C2	H10	110.976
H11	C3	H12	110.976

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

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

States and conformations

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