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	hartrees
Energy at 0K	-342.656153
Energy at 298.15K
HF Energy	-341.650191
Nuclear repulsion energy	269.689551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3183	3061
2	A₁	2978	2864
3	A₁	1565	1505
4	A₁	1264	1215
5	A₁	1007	968
6	A₁	757	728
7	A₁	483	464
8	A₂	1410	1356
9	A₂	1263	1215
10	A₂	998	960
11	E	3180	3058
11	E	3180	3058
12	E	2962	2848
12	E	2962	2848
13	E	1546	1486
13	E	1546	1486
14	E	1464	1408
14	E	1464	1408
15	E	1347	1295
15	E	1346	1295
16	E	1210	1164
16	E	1210	1164
17	E	1101	1059
17	E	1101	1059
18	E	974	937
18	E	974	936
19	E	526	506
19	E	526	506
20	E	307	295
20	E	306	294

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.328	0.185
C2	-1.150	-0.664	0.185
C3	1.150	-0.664	0.185
O4	-1.170	0.675	-0.271
O5	1.170	0.675	-0.271
O6	0.000	-1.351	-0.271
H7	0.000	2.336	-0.235
H8	0.000	1.360	1.294
H9	-2.023	-1.168	-0.235
H10	-1.178	-0.680	1.294
H11	2.023	-1.168	-0.235
H12	1.178	-0.680	1.294

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.3008	2.3008	1.4153	1.4153	2.7175	1.0917	1.1086	3.2404	2.5787	3.2404	2.5787
C2	2.3008		2.3008	1.4153	2.7175	1.4153	3.2404	2.5787	1.0917	1.1086	3.2404	2.5787
C3	2.3008	2.3008		2.7175	1.4153	1.4153	3.2404	2.5787	3.2404	2.5787	1.0917	1.1086
O4	1.4153	1.4153	2.7175		2.3392	2.3392	2.0314	2.0702	2.0314	2.0702	3.6865	3.1300
O5	1.4153	2.7175	1.4153	2.3392		2.3392	2.0314	2.0702	3.6865	3.1300	2.0314	2.0702
O6	2.7175	1.4153	1.4153	2.3392	2.3392		3.6865	3.1300	2.0314	2.0702	2.0314	2.0702
H7	1.0917	3.2404	3.2404	2.0314	2.0314	3.6865		1.8137	4.0456	3.5806	4.0456	3.5806
H8	1.1086	2.5787	2.5787	2.0702	2.0702	3.1300	1.8137		3.5806	2.3560	3.5806	2.3560
H9	3.2404	1.0917	3.2404	2.0314	3.6865	2.0314	4.0456	3.5806		1.8137	4.0456	3.5806
H10	2.5787	1.1086	2.5787	2.0702	3.1300	2.0702	3.5806	2.3560	1.8137		3.5806	2.3560
H11	3.2404	3.2404	1.0917	3.6865	2.0314	2.0314	4.0456	3.5806	4.0456	3.5806		1.8137
H12	2.5787	2.5787	1.1086	3.1300	2.0702	2.0702	3.5806	2.3560	3.5806	2.3560	1.8137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	108.749	C1	O5	C3	108.749
C2	O6	C3	108.749	O4	C1	O5	111.467
O4	C1	H7	107.545	O4	C1	H8	109.619
O4	C2	O6	111.466	O4	C2	H9	107.545
O4	C2	H10	109.619	O5	C1	H7	107.545
O5	C1	H8	109.619	O5	C3	O6	111.466
O5	C3	H11	107.545	O5	C3	H12	109.619
O6	C2	H9	107.545	O6	C2	H10	109.619
O6	C3	H11	107.545	O6	C3	H12	109.619
H7	C1	H8	111.022	H9	C2	H10	111.022
H11	C3	H12	111.022

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

using model chemistry: MP4=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: MP4=FULL/6-31G*

States and conformations

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