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	hartrees
Energy at 0K	-342.762414
Energy at 298.15K
HF Energy	-341.741780
Nuclear repulsion energy	271.376474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3213	3053	9.07
2	A₁	3009	2859	183.65
3	A₁	1549	1472	4.24
4	A₁	1265	1202	26.47
5	A₁	1011	960	82.14
6	A₁	771	732	0.81
7	A₁	493	468	18.79
8	A₂	1433	1362	0.00
9	A₂	1285	1221	0.00
10	A₂	1017	966	0.00
11	E	3211	3051	29.72
11	E	3211	3051	29.72
12	E	2993	2844	22.30
12	E	2993	2844	22.30
13	E	1532	1456	1.23
13	E	1532	1456	1.23
14	E	1484	1411	31.39
14	E	1484	1411	31.39
15	E	1365	1297	2.48
15	E	1365	1297	2.48
16	E	1222	1161	228.54
16	E	1222	1161	228.54
17	E	1106	1051	54.28
17	E	1106	1051	54.28
18	E	991	942	39.55
18	E	991	942	39.55
19	E	532	506	8.39
19	E	532	506	8.39
20	E	315	299	0.16
20	E	315	299	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.317	0.184
C2	-1.141	-0.659	0.184
C3	1.141	-0.659	0.184
O4	-1.164	0.672	-0.271
O5	1.164	0.672	-0.271
O6	0.000	-1.344	-0.271
H7	0.000	2.322	-0.230
H8	0.000	1.340	1.289
H9	-2.011	-1.161	-0.230
H10	-1.161	-0.670	1.289
H11	2.011	-1.161	-0.230
H12	1.161	-0.670	1.289

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.2812	2.2812	1.4064	1.4064	2.6999	1.0870	1.1044	3.2182	2.5524	3.2182	2.5524
C2	2.2812		2.2812	1.4064	2.6999	1.4064	3.2182	2.5524	1.0870	1.1044	3.2182	2.5524
C3	2.2812	2.2812		2.6999	1.4064	1.4064	3.2182	2.5524	3.2182	2.5524	1.0870	1.1044
O4	1.4064	1.4064	2.6999		2.3282	2.3282	2.0198	2.0572	2.0198	2.0572	3.6665	3.1042
O5	1.4064	2.6999	1.4064	2.3282		2.3282	2.0198	2.0572	3.6665	3.1042	2.0198	2.0572
O6	2.6999	1.4064	1.4064	2.3282	2.3282		3.6665	3.1042	2.0198	2.0572	2.0198	2.0572
H7	1.0870	3.2182	3.2182	2.0198	2.0198	3.6665		1.8082	4.0220	3.5504	4.0220	3.5504
H8	1.1044	2.5524	2.5524	2.0572	2.0572	3.1042	1.8082		3.5504	2.3211	3.5504	2.3211
H9	3.2182	1.0870	3.2182	2.0198	3.6665	2.0198	4.0220	3.5504		1.8082	4.0220	3.5504
H10	2.5524	1.1044	2.5524	2.0572	3.1042	2.0572	3.5504	2.3211	1.8082		3.5504	2.3211
H11	3.2182	3.2182	1.0870	3.6665	2.0198	2.0198	4.0220	3.5504	4.0220	3.5504		1.8082
H12	2.5524	2.5524	1.1044	3.1042	2.0572	2.0572	3.5504	2.3211	3.5504	2.3211	1.8082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	108.386	C1	O5	C3	108.386
C2	O6	C3	108.386	O4	C1	O5	111.723
O4	C1	H7	107.504	O4	C1	H8	109.448
O4	C2	O6	111.723	O4	C2	H9	107.504
O4	C2	H10	109.448	O5	C1	H7	107.504
O5	C1	H8	109.448	O5	C3	O6	111.723
O5	C3	H11	107.504	O5	C3	H12	109.448
O6	C2	H9	107.504	O6	C2	H10	109.448
O6	C3	H11	107.504	O6	C3	H12	109.448
H7	C1	H8	111.202	H9	C2	H10	111.202
H11	C3	H12	111.202

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

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

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: MP2/6-311G**

States and conformations

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