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	hartrees
Energy at 0K	-343.104253
Energy at 298.15K	-343.098400
HF Energy	-341.656140
Nuclear repulsion energy	273.984038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3363	3168	20.86
2	A₁	3182	2998	217.68
3	A₁	1700	1602	1.18
4	A₁	1377	1297	41.60
5	A₁	1088	1025	100.93
6	A₁	846	797	1.08
7	A₁	467	440	26.31
8	A₂	1546	1457	0.00
9	A₂	1385	1305	0.00
10	A₂	1174	1106	0.00
11	E	3357	3163	52.92
11	E	3357	3163	52.92
12	E	3159	2976	25.48
12	E	3159	2976	25.48
13	E	1678	1581	0.01
13	E	1678	1581	0.01
14	E	1611	1517	69.93
14	E	1611	1517	69.93
15	E	1467	1382	5.19
15	E	1467	1382	5.19
16	E	1353	1275	332.89
16	E	1353	1275	332.89
17	E	1204	1134	50.35
17	E	1204	1134	50.35
18	E	1073	1011	33.43
18	E	1073	1011	33.43
19	E	580	547	10.35
19	E	580	547	10.35
20	E	295	278	0.37
20	E	295	278	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.458	0.051
C2	-1.263	-0.729	0.051
C3	1.263	-0.729	0.051
O4	-1.265	0.730	-0.059
O5	1.265	0.730	-0.059
O6	0.000	-1.460	-0.059
H7	0.000	2.093	-0.793
H8	0.000	2.012	0.957
H9	-1.813	-1.047	-0.793
H10	-1.742	-1.006	0.957
H11	1.813	-1.047	-0.793
H12	1.742	-1.006	0.957

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.5259	2.5259	1.4634	1.4634	2.9206	1.0562	1.0619	3.2053	3.1512	3.2053	3.1512
C2	2.5259		2.5259	1.4634	2.9206	1.4634	3.2053	3.1512	1.0562	1.0619	3.2053	3.1512
C3	2.5259	2.5259		2.9206	1.4634	1.4634	3.2053	3.1512	3.2053	3.1512	1.0562	1.0619
O4	1.4634	1.4634	2.9206		2.5291	2.5291	1.9993	2.0673	1.9993	2.0673	3.6287	3.6177
O5	1.4634	2.9206	1.4634	2.5291		2.5291	1.9993	2.0673	3.6287	3.6177	1.9993	2.0673
O6	2.9206	1.4634	1.4634	2.5291	2.5291		3.6287	3.6177	1.9993	2.0673	1.9993	2.0673
H7	1.0562	3.2053	3.2053	1.9993	1.9993	3.6287		1.7520	3.6258	3.9630	3.6258	3.9630
H8	1.0619	3.1512	3.1512	2.0673	2.0673	3.6177	1.7520		3.9630	3.4849	3.9630	3.4849
H9	3.2053	1.0562	3.2053	1.9993	3.6287	1.9993	3.6258	3.9630		1.7520	3.6258	3.9630
H10	3.1512	1.0619	3.1512	2.0673	3.6177	2.0673	3.9630	3.4849	1.7520		3.9630	3.4849
H11	3.2053	3.2053	1.0562	3.6287	1.9993	1.9993	3.6258	3.9630	3.6258	3.9630		1.7520
H12	3.1512	3.1512	1.0619	3.6177	2.0673	2.0673	3.9630	3.4849	3.9630	3.4849	1.7520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	111.640	C1	O5	C3	111.640
C2	O6	C3	111.640	O4	C1	O5	111.126
O4	C1	H7	107.979	O4	C1	H8	109.721
O4	C2	O6	111.126	O4	C2	H9	107.979
O4	C2	H10	109.721	O5	C1	H7	107.979
O5	C1	H8	109.721	O5	C3	O6	111.126
O5	C3	H11	107.979	O5	C3	H12	109.721
O6	C2	H9	107.979	O6	C2	H10	109.721
O6	C3	H11	107.979	O6	C3	H12	109.721
H7	C1	H8	110.283	H9	C2	H10	110.283
H11	C3	H12	110.283

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

using model chemistry: G3MP2

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: G3MP2

States and conformations

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