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	hartrees
Energy at 0K	-342.565966
Energy at 298.15K	-342.575774
HF Energy	-341.651129
Nuclear repulsion energy	270.122194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	3051	11.50
2	A₁	3030	2857	160.23
3	A₁	1584	1494	4.66
4	A₁	1271	1199	20.58
5	A₁	1008	950	80.49
6	A₁	763	720	0.67
7	A₁	485	457	21.69
8	A₂	1427	1346	0.00
9	A₂	1277	1205	0.00
10	A₂	1018	960	0.00
11	E	3232	3048	27.83
11	E	3232	3048	27.83
12	E	3015	2843	19.32
12	E	3015	2843	19.32
13	E	1564	1475	0.17
13	E	1564	1475	0.17
14	E	1480	1396	33.93
14	E	1480	1396	33.93
15	E	1360	1283	1.03
15	E	1360	1283	1.03
16	E	1223	1153	226.19
16	E	1223	1153	226.19
17	E	1113	1050	57.72
17	E	1113	1050	57.72
18	E	984	927	38.63
18	E	984	927	38.63
19	E	529	499	10.16
19	E	529	499	10.16
20	E	308	290	0.12
20	E	308	290	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.459	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	-1.461	-0.059
H7	0.000	2.094	-0.793
H8	0.000	2.012	0.958
H9	-1.814	-1.047	-0.793
H10	-1.743	-1.006	0.958
H11	1.814	-1.047	-0.793
H12	1.743	-1.006	0.958

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.5270	2.5270	1.4639	1.4639	2.9216	1.0567	1.0623	3.2068	3.1522	3.2068	3.1522
C2	2.5270		2.5270	1.4639	2.9216	1.4639	3.2068	3.1522	1.0567	1.0623	3.2068	3.1522
C3	2.5270	2.5270		2.9216	1.4639	1.4639	3.2068	3.1522	3.2068	3.1522	1.0567	1.0623
O4	1.4639	1.4639	2.9216		2.5299	2.5299	2.0002	2.0680	2.0002	2.0680	3.6303	3.6186
O5	1.4639	2.9216	1.4639	2.5299		2.5299	2.0002	2.0680	3.6303	3.6186	2.0002	2.0680
O6	2.9216	1.4639	1.4639	2.5299	2.5299		3.6303	3.6186	2.0002	2.0680	2.0002	2.0680
H7	1.0567	3.2068	3.2068	2.0002	2.0002	3.6303		1.7529	3.6277	3.9645	3.6277	3.9645
H8	1.0623	3.1522	3.1522	2.0680	2.0680	3.6186	1.7529		3.9645	3.4855	3.9645	3.4855
H9	3.2068	1.0567	3.2068	2.0002	3.6303	2.0002	3.6277	3.9645		1.7529	3.6277	3.9645
H10	3.1522	1.0623	3.1522	2.0680	3.6186	2.0680	3.9645	3.4855	1.7529		3.9645	3.4855
H11	3.2068	3.2068	1.0567	3.6303	2.0002	2.0002	3.6277	3.9645	3.6277	3.9645		1.7529
H12	3.1522	3.1522	1.0623	3.6186	2.0680	2.0680	3.9645	3.4855	3.9645	3.4855	1.7529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	119.332	C1	O5	C3	119.332
C2	O6	C3	119.332	O4	C1	O5	119.560
O4	C1	H7	103.862	O4	C1	H8	108.853
O4	C2	O6	119.560	O4	C2	H9	103.862
O4	C2	H10	108.853	O5	C1	H7	103.862
O5	C1	H8	108.853	O5	C3	O6	119.560
O5	C3	H11	103.862	O5	C3	H12	108.853
O6	C2	H9	103.862	O6	C2	H10	108.853
O6	C3	H11	103.862	O6	C3	H12	108.853
H7	C1	H8	111.632	H9	C2	H10	111.632
H11	C3	H12	111.632

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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