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	hartrees
Energy at 0K	-342.632718
Energy at 298.15K
HF Energy	-341.650084
Nuclear repulsion energy	269.495701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3176	3046
2	A₁	2976	2855
3	A₁	1566	1502
4	A₁	1267	1216
5	A₁	1013	972
6	A₁	761	730
7	A₁	480	461
8	A₂	1408	1351
9	A₂	1262	1210
10	A₂	998	957
11	E	3172	3043
11	E	3172	3043
12	E	2959	2839
12	E	2959	2839
13	E	1545	1483
13	E	1545	1483
14	E	1464	1404
14	E	1464	1404
15	E	1346	1292
15	E	1346	1291
16	E	1212	1163
16	E	1212	1162
17	E	1101	1056
17	E	1100	1056
18	E	975	935
18	E	975	935
19	E	528	506
19	E	527	506
20	E	305	293
20	E	304	292

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.330	0.185
C2	-1.152	-0.665	0.185
C3	1.152	-0.665	0.185
O4	-1.170	0.675	-0.271
O5	1.170	0.675	-0.271
O6	0.000	-1.351	-0.271
H7	0.000	2.337	-0.238
H8	0.000	1.366	1.293
H9	-2.024	-1.169	-0.238
H10	-1.183	-0.683	1.293
H11	2.024	-1.169	-0.238
H12	1.183	-0.683	1.293

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.3044	2.3044	1.4161	1.4161	2.7198	1.0922	1.1087	3.2437	2.5845	3.2437	2.5845
C2	2.3044		2.3044	1.4161	2.7198	1.4161	3.2437	2.5845	1.0922	1.1087	3.2437	2.5845
C3	2.3044	2.3044		2.7198	1.4161	1.4161	3.2437	2.5845	3.2437	2.5845	1.0922	1.1087
O4	1.4161	1.4161	2.7198		2.3398	2.3398	2.0326	2.0714	2.0326	2.0714	3.6883	3.1345
O5	1.4161	2.7198	1.4161	2.3398		2.3398	2.0326	2.0714	3.6883	3.1345	2.0326	2.0714
O6	2.7198	1.4161	1.4161	2.3398	2.3398		3.6883	3.1345	2.0326	2.0714	2.0326	2.0714
H7	1.0922	3.2437	3.2437	2.0326	2.0326	3.6883		1.8136	4.0483	3.5867	4.0483	3.5867
H8	1.1087	2.5845	2.5845	2.0714	2.0714	3.1345	1.8136		3.5867	2.3653	3.5867	2.3653
H9	3.2437	1.0922	3.2437	2.0326	3.6883	2.0326	4.0483	3.5867		1.8136	4.0483	3.5867
H10	2.5845	1.1087	2.5845	2.0714	3.1345	2.0714	3.5867	2.3653	1.8136		3.5867	2.3653
H11	3.2437	3.2437	1.0922	3.6883	2.0326	2.0326	4.0483	3.5867	4.0483	3.5867		1.8136
H12	2.5845	2.5845	1.1087	3.1345	2.0714	2.0714	3.5867	2.3653	3.5867	2.3653	1.8136

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	108.905	C1	O5	C3	108.905
C2	O6	C3	108.905	O4	C1	O5	111.411
O4	C1	H7	107.562	O4	C1	H8	109.651
O4	C2	O6	111.411	O4	C2	H9	107.562
O4	C2	H10	109.651	O5	C1	H7	107.562
O5	C1	H8	109.651	O5	C3	O6	111.411
O5	C3	H11	107.562	O5	C3	H12	109.651
O6	C2	H9	107.562	O6	C2	H10	109.651
O6	C3	H11	107.562	O6	C3	H12	109.651
H7	C1	H8	110.976	H9	C2	H10	110.976
H11	C3	H12	110.976

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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