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	hartrees
Energy at 0K	-340.414733
Energy at 298.15K
HF Energy	-339.752148
Nuclear repulsion energy	262.245789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3163	3040	13.38
2	A₁	2968	2853	159.38
3	A₁	1585	1523	8.80
4	A₁	1227	1179	7.99
5	A₁	942	906	75.88
6	A₁	704	677	0.90
7	A₁	439	422	26.03
8	A₂	1404	1350	0.00
9	A₂	1249	1201	0.00
10	A₂	949	912	0.00
11	E	3156	3033	24.80
11	E	3156	3033	24.80
12	E	2954	2839	20.33
12	E	2954	2839	20.33
13	E	1565	1504	0.40
13	E	1565	1504	0.40
14	E	1461	1405	24.27
14	E	1461	1405	24.27
15	E	1328	1276	0.32
15	E	1328	1276	0.32
16	E	1143	1099	124.98
16	E	1143	1099	124.97
17	E	1048	1007	92.81
17	E	1048	1007	92.81
18	E	893	859	14.01
18	E	893	859	14.01
19	E	504	484	14.43
19	E	504	484	14.43
20	E	286	275	0.15
20	E	286	275	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.372	0.191
C2	-1.188	-0.686	0.191
C3	1.188	-0.686	0.191
O4	-1.210	0.699	-0.274
O5	1.210	0.699	-0.274
O6	0.000	-1.397	-0.274
H7	0.000	2.371	-0.247
H8	0.000	1.410	1.296
H9	-2.053	-1.185	-0.247
H10	-1.221	-0.705	1.296
H11	2.053	-1.185	-0.247
H12	1.221	-0.705	1.296

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.3769	2.3769	1.4609	1.4609	2.8081	1.0901	1.1063	3.3089	2.6511	3.3089	2.6511
C2	2.3769		2.3769	1.4609	2.8081	1.4609	3.3089	2.6511	1.0901	1.1063	3.3089	2.6511
C3	2.3769	2.3769		2.8081	1.4609	1.4609	3.3089	2.6511	3.3089	2.6511	1.0901	1.1063
O4	1.4609	1.4609	2.8081		2.4197	2.4197	2.0642	2.1065	2.0642	2.1065	3.7679	3.2165
O5	1.4609	2.8081	1.4609	2.4197		2.4197	2.0642	2.1065	3.7679	3.2165	2.0642	2.1065
O6	2.8081	1.4609	1.4609	2.4197	2.4197		3.7679	3.2165	2.0642	2.1065	2.0642	2.1065
H7	1.0901	3.3089	3.3089	2.0642	2.0642	3.7679		1.8178	4.1064	3.6513	4.1064	3.6513
H8	1.1063	2.6511	2.6511	2.1065	2.1065	3.2165	1.8178		3.6513	2.4420	3.6513	2.4420
H9	3.3089	1.0901	3.3089	2.0642	3.7679	2.0642	4.1064	3.6513		1.8178	4.1064	3.6513
H10	2.6511	1.1063	2.6511	2.1065	3.2165	2.1065	3.6513	2.4420	1.8178		3.6513	2.4420
H11	3.3089	3.3089	1.0901	3.7679	2.0642	2.0642	4.1064	3.6513	4.1064	3.6513		1.8178
H12	2.6511	2.6511	1.1063	3.2165	2.1065	2.1065	3.6513	2.4420	3.6513	2.4420	1.8178

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	108.886	C1	O5	C3	108.886
C2	O6	C3	108.886	O4	C1	O5	111.826
O4	C1	H7	107.141	O4	C1	H8	109.503
O4	C2	O6	111.826	O4	C2	H9	107.141
O4	C2	H10	109.503	O5	C1	H7	107.141
O5	C1	H8	109.503	O5	C3	O6	111.826
O5	C3	H11	107.141	O5	C3	H12	109.503
O6	C2	H9	107.141	O6	C2	H10	109.503
O6	C3	H11	107.141	O6	C3	H12	109.503
H7	C1	H8	111.710	H9	C2	H10	111.710
H11	C3	H12	111.710

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

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

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