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	hartrees
Energy at 0K	-342.637015
Energy at 298.15K
HF Energy	-341.669813
Nuclear repulsion energy	269.832386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3264	3070	6.33
2	A₁	3055	2874	163.25
3	A₁	1567	1474	3.81
4	A₁	1256	1182	21.08
5	A₁	992	933	77.83
6	A₁	755	710	0.58
7	A₁	479	450	20.17
8	A₂	1421	1336	0.00
9	A₂	1270	1195	0.00
10	A₂	1001	942	0.00
11	E	3262	3068	20.35
11	E	3262	3068	20.35
12	E	3044	2863	20.29
12	E	3044	2863	20.29
13	E	1548	1456	0.42
13	E	1548	1456	0.42
14	E	1463	1376	30.78
14	E	1463	1376	30.78
15	E	1350	1270	1.40
15	E	1350	1270	1.40
16	E	1211	1139	232.52
16	E	1211	1139	232.52
17	E	1096	1031	57.45
17	E	1096	1031	57.45
18	E	965	907	56.09
18	E	965	907	56.09
19	E	522	491	10.11
19	E	522	491	10.11
20	E	305	287	0.14
20	E	305	287	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.332	0.185
C2	-1.153	-0.666	0.185
C3	1.153	-0.666	0.185
O4	-1.169	0.675	-0.270
O5	1.169	0.675	-0.270
O6	0.000	-1.350	-0.270
H7	0.000	2.330	-0.237
H8	0.000	1.358	1.286
H9	-2.018	-1.165	-0.237
H10	-1.176	-0.679	1.286
H11	2.018	-1.165	-0.237
H12	1.176	-0.679	1.286

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.3063	2.3063	1.4159	1.4159	2.7196	1.0839	1.1004	3.2375	2.5758	3.2375	2.5758
C2	2.3063		2.3063	1.4159	2.7196	1.4159	3.2375	2.5758	1.0839	1.1004	3.2375	2.5758
C3	2.3063	2.3063		2.7196	1.4159	1.4159	3.2375	2.5758	3.2375	2.5758	1.0839	1.1004
O4	1.4159	1.4159	2.7196		2.3375	2.3375	2.0263	2.0622	2.0263	2.0622	3.6794	3.1225
O5	1.4159	2.7196	1.4159	2.3375		2.3375	2.0263	2.0622	3.6794	3.1225	2.0263	2.0622
O6	2.7196	1.4159	1.4159	2.3375	2.3375		3.6794	3.1225	2.0263	2.0622	2.0263	2.0622
H7	1.0839	3.2375	3.2375	2.0263	2.0263	3.6794		1.8064	4.0352	3.5711	4.0352	3.5711
H8	1.1004	2.5758	2.5758	2.0622	2.0622	3.1225	1.8064		3.5711	2.3517	3.5711	2.3517
H9	3.2375	1.0839	3.2375	2.0263	3.6794	2.0263	4.0352	3.5711		1.8064	4.0352	3.5711
H10	2.5758	1.1004	2.5758	2.0622	3.1225	2.0622	3.5711	2.3517	1.8064		3.5711	2.3517
H11	3.2375	3.2375	1.0839	3.6794	2.0263	2.0263	4.0352	3.5711	4.0352	3.5711		1.8064
H12	2.5758	2.5758	1.1004	3.1225	2.0622	2.0622	3.5711	2.3517	3.5711	2.3517	1.8064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	109.058	C1	O5	C3	109.058
C2	O6	C3	109.058	O4	C1	O5	111.267
O4	C1	H7	107.562	O4	C1	H8	109.432
O4	C2	O6	111.267	O4	C2	H9	107.562
O4	C2	H10	109.432	O5	C1	H7	107.562
O5	C1	H8	109.432	O5	C3	O6	111.267
O5	C3	H11	107.562	O5	C3	H12	109.432
O6	C2	H9	107.562	O6	C2	H10	109.432
O6	C3	H11	107.562	O6	C3	H12	109.432
H7	C1	H8	111.576	H9	C2	H10	111.576
H11	C3	H12	111.576

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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