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	hartrees
Energy at 0K	-340.375934
Energy at 298.15K
HF Energy	-339.751823
Nuclear repulsion energy	262.265222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3223	3066	13.91
2	A₁	3015	2868	169.56
3	A₁	1605	1527	8.82
4	A₁	1230	1170	6.66
5	A₁	946	899	74.90
6	A₁	698	664	0.75
7	A₁	443	421	25.01
8	A₂	1423	1353	0.00
9	A₂	1262	1200	0.00
10	A₂	928	883	0.00
11	E	3217	3061	23.50
11	E	3217	3061	23.50
12	E	3002	2856	19.83
12	E	3002	2856	19.83
13	E	1586	1508	0.42
13	E	1586	1508	0.42
14	E	1478	1406	23.22
14	E	1478	1406	23.22
15	E	1338	1273	0.75
15	E	1338	1273	0.75
16	E	1148	1093	109.34
16	E	1148	1093	109.34
17	E	1048	997	113.56
17	E	1048	997	113.56
18	E	892	848	16.44
18	E	892	848	16.44
19	E	502	478	14.14
19	E	502	478	14.14
20	E	290	276	0.10
20	E	290	276	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.369	0.192
C2	-1.186	-0.685	0.192
C3	1.186	-0.685	0.192
O4	-1.213	0.700	-0.276
O5	1.213	0.700	-0.276
O6	0.000	-1.400	-0.276
H7	0.000	2.366	-0.239
H8	0.000	1.400	1.295
H9	-2.049	-1.183	-0.239
H10	-1.212	-0.700	1.295
H11	2.049	-1.183	-0.239
H12	1.212	-0.700	1.295

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.3713	2.3713	1.4621	1.4621	2.8088	1.0861	1.1029	3.3009	2.6391	3.3009	2.6391
C2	2.3713		2.3713	1.4621	2.8088	1.4621	3.3009	2.6391	1.0861	1.1029	3.3009	2.6391
C3	2.3713	2.3713		2.8088	1.4621	1.4621	3.3009	2.6391	3.3009	2.6391	1.0861	1.1029
O4	1.4621	1.4621	2.8088		2.4255	2.4255	2.0605	2.1044	2.0605	2.1044	3.7661	3.2107
O5	1.4621	2.8088	1.4621	2.4255		2.4255	2.0605	2.1044	3.7661	3.2107	2.0605	2.1044
O6	2.8088	1.4621	1.4621	2.4255	2.4255		3.7661	3.2107	2.0605	2.1044	2.0605	2.1044
H7	1.0861	3.3009	3.3009	2.0605	2.0605	3.7661		1.8130	4.0973	3.6360	4.0973	3.6360
H8	1.1029	2.6391	2.6391	2.1044	2.1044	3.2107	1.8130		3.6360	2.4243	3.6360	2.4243
H9	3.3009	1.0861	3.3009	2.0605	3.7661	2.0605	4.0973	3.6360		1.8130	4.0974	3.6360
H10	2.6391	1.1029	2.6391	2.1044	3.2107	2.1044	3.6360	2.4243	1.8130		3.6360	2.4243
H11	3.3009	3.3009	1.0861	3.7661	2.0605	2.0605	4.0973	3.6360	4.0974	3.6360		1.8130
H12	2.6391	2.6391	1.1029	3.2107	2.1044	2.1044	3.6360	2.4243	3.6360	2.4243	1.8130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	108.369	C1	O5	C3	108.369
C2	O6	C3	108.368	O4	C1	O5	112.079
O4	C1	H7	106.996	O4	C1	H8	109.459
O4	C2	O6	112.079	O4	C2	H9	106.996
O4	C2	H10	109.459	O5	C1	H7	106.996
O5	C1	H8	109.459	O5	C3	O6	112.079
O5	C3	H11	106.996	O5	C3	H12	109.459
O6	C2	H9	106.996	O6	C2	H10	109.459
O6	C3	H11	106.996	O6	C3	H12	109.459
H7	C1	H8	111.839	H9	C2	H10	111.839
H11	C3	H12	111.839

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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