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	hartrees
Energy at 0K
Energy at 298.15K	-0.195125
HF Energy	-0.195125
Nuclear repulsion energy	180.538101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3022	2944	1.34
2	A₁	2886	2811	16.34
3	A₁	1340	1305	4.36
4	A₁	1106	1077	52.38
5	A₁	1055	1027	9.69
6	A₁	649	632	6.55
7	A₁	372	362	35.03
8	A₂	1238	1206	0.00
9	A₂	1079	1051	0.00
10	A₂	957	932	0.00
11	E	3018	2939	8.34
11	E	3018	2939	8.34
12	E	2888	2813	0.71
12	E	2888	2813	0.71
13	E	1360	1325	101.81
13	E	1360	1325	101.81
14	E	1329	1294	45.96
14	E	1329	1294	45.96
15	E	1144	1114	10.55
15	E	1144	1114	10.55
16	E	1073	1045	4.49
16	E	1073	1045	4.48
17	E	937	913	1.30
17	E	937	913	1.30
18	E	929	905	10.97
18	E	929	905	10.97
19	E	499	486	5.82
19	E	499	486	5.82
20	E	232	226	3.32
20	E	232	226	3.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.357	0.190
C2	-1.175	-0.679	0.190
C3	1.175	-0.679	0.190
O4	-1.137	0.656	-0.260
O5	1.137	0.656	-0.260
O6	0.000	-1.313	-0.260
H7	0.000	2.314	-0.348
H8	0.000	1.502	1.288
H9	-2.004	-1.157	-0.348
H10	-1.301	-0.751	1.288
H11	2.004	-1.157	-0.348
H12	1.301	-0.751	1.288

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.3510	2.3510	1.4096	1.4096	2.7080	1.0973	1.1073	3.2596	2.7094	3.2596	2.7094
C2	2.3510		2.3510	1.4096	2.7080	1.4096	3.2596	2.7094	1.0973	1.1073	3.2596	2.7094
C3	2.3510	2.3510		2.7080	1.4096	1.4096	3.2596	2.7094	3.2596	2.7094	1.0973	1.1073
O4	1.4096	1.4096	2.7080		2.2741	2.2741	2.0116	2.0987	2.0116	2.0987	3.6276	3.2124
O5	1.4096	2.7080	1.4096	2.2741		2.2741	2.0116	2.0987	3.6276	3.2124	2.0116	2.0987
O6	2.7080	1.4096	1.4096	2.2741	2.2741		3.6276	3.2124	2.0116	2.0987	2.0116	2.0987
H7	1.0973	3.2596	3.2596	2.0116	2.0116	3.6276		1.8266	4.0071	3.7093	4.0071	3.7093
H8	1.1073	2.7094	2.7094	2.0987	2.0987	3.2124	1.8266		3.7093	2.6010	3.7093	2.6010
H9	3.2596	1.0973	3.2596	2.0116	3.6276	2.0116	4.0071	3.7093		1.8266	4.0071	3.7093
H10	2.7094	1.1073	2.7094	2.0987	3.2124	2.0987	3.7093	2.6010	1.8266		3.7093	2.6010
H11	3.2596	3.2596	1.0973	3.6276	2.0116	2.0116	4.0071	3.7093	4.0071	3.7093		1.8266
H12	2.7094	2.7094	1.1073	3.2124	2.0987	2.0987	3.7093	2.6010	3.7093	2.6010	1.8266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	113.002	C1	O5	C3	113.002
C2	O6	C3	113.002	O4	C1	O5	107.538
O4	C1	H7	106.046	O4	C1	H8	112.439
O4	C2	O6	107.538	O4	C2	H9	106.046
O4	C2	H10	112.439	O5	C1	H7	106.046
O5	C1	H8	112.439	O5	C3	O6	107.538
O5	C3	H11	106.046	O5	C3	H12	112.439
O6	C2	H9	106.046	O6	C2	H10	112.439
O6	C3	H11	106.046	O6	C3	H12	112.439
H7	C1	H8	111.892	H9	C2	H10	111.891
H11	C3	H12	111.891

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

using model chemistry: PM3

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: PM3

States and conformations

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