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	hartrees
Energy at 0K	-342.875658
Energy at 298.15K
HF Energy	-341.742072
Nuclear repulsion energy	271.622899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3219	3053	8.80
2	A₁	3015	2860	183.08
3	A₁	1549	1469	4.36
4	A₁	1265	1200	26.43
5	A₁	1013	961	82.45
6	A₁	772	733	0.85
7	A₁	494	468	18.85
8	A₂	1435	1361	0.00
9	A₂	1286	1220	0.00
10	A₂	1022	969	0.00
11	E	3216	3051	29.46
11	E	3216	3051	29.46
12	E	2999	2845	22.20
12	E	2999	2845	22.20
13	E	1532	1453	1.42
13	E	1532	1453	1.42
14	E	1486	1410	31.03
14	E	1486	1410	31.03
15	E	1366	1296	2.60
15	E	1366	1296	2.60
16	E	1225	1162	231.56
16	E	1225	1162	231.56
17	E	1108	1051	51.27
17	E	1108	1051	51.27
18	E	994	943	39.33
18	E	994	943	39.33
19	E	534	506	8.44
19	E	534	506	8.44
20	E	315	299	0.16
20	E	315	299	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.316	0.184
C2	-1.140	-0.658	0.184
C3	1.140	-0.658	0.184
O4	-1.163	0.671	-0.270
O5	1.163	0.671	-0.270
O6	0.000	-1.343	-0.270
H7	0.000	2.321	-0.229
H8	0.000	1.339	1.288
H9	-2.010	-1.160	-0.229
H10	-1.160	-0.669	1.288
H11	2.010	-1.160	-0.229
H12	1.160	-0.669	1.288

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.2792	2.2792	1.4050	1.4050	2.6972	1.0866	1.1040	3.2160	2.5504	3.2160	2.5504
C2	2.2792		2.2792	1.4050	2.6972	1.4050	3.2160	2.5504	1.0866	1.1040	3.2160	2.5504
C3	2.2792	2.2792		2.6972	1.4050	1.4050	3.2160	2.5504	3.2160	2.5504	1.0866	1.1040
O4	1.4050	1.4050	2.6972		2.3258	2.3258	2.0186	2.0556	2.0186	2.0556	3.6639	3.1015
O5	1.4050	2.6972	1.4050	2.3258		2.3258	2.0186	2.0556	3.6639	3.1015	2.0186	2.0556
O6	2.6972	1.4050	1.4050	2.3258	2.3258		3.6639	3.1015	2.0186	2.0556	2.0186	2.0556
H7	1.0866	3.2160	3.2160	2.0186	2.0186	3.6639		1.8072	4.0198	3.5480	4.0198	3.5480
H8	1.1040	2.5504	2.5504	2.0556	2.0556	3.1015	1.8072		3.5480	2.3191	3.5480	2.3191
H9	3.2160	1.0866	3.2160	2.0186	3.6639	2.0186	4.0198	3.5480		1.8072	4.0198	3.5480
H10	2.5504	1.1040	2.5504	2.0556	3.1015	2.0556	3.5480	2.3191	1.8072		3.5480	2.3191
H11	3.2160	3.2160	1.0866	3.6639	2.0186	2.0186	4.0198	3.5480	4.0198	3.5480		1.8072
H12	2.5504	2.5504	1.1040	3.1015	2.0556	2.0556	3.5480	2.3191	3.5480	2.3191	1.8072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	108.403	C1	O5	C3	108.403
C2	O6	C3	108.403	O4	C1	O5	111.724
O4	C1	H7	107.530	O4	C1	H8	109.440
O4	C2	O6	111.724	O4	C2	H9	107.530
O4	C2	H10	109.440	O5	C1	H7	107.530
O5	C1	H8	109.440	O5	C3	O6	111.724
O5	C3	H11	107.530	O5	C3	H12	109.440
O6	C2	H9	107.530	O6	C2	H10	109.440
O6	C3	H11	107.530	O6	C3	H12	109.440
H7	C1	H8	111.163	H9	C2	H10	111.163
H11	C3	H12	111.163

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

using model chemistry: MP2=FULL/6-311G**

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=FULL/6-311G**

States and conformations

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