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	hartrees
Energy at 0K	-342.850086
Energy at 298.15K
HF Energy	-341.734450
Nuclear repulsion energy	272.102382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	3215	9.18
2	A₁	3019	3019	179.96
3	A₁	1577	1577	4.20
4	A₁	1288	1288	27.53
5	A₁	1033	1033	87.11
6	A₁	795	795	1.09
7	A₁	488	488	22.18
8	A₂	1441	1441	0.00
9	A₂	1298	1298	0.00
10	A₂	1088	1088	0.00
11	E	3212	3212	31.29
11	E	3212	3212	31.29
12	E	3003	3003	21.02
12	E	3003	3003	21.02
13	E	1556	1556	2.00
13	E	1556	1556	2.00
14	E	1497	1497	36.28
14	E	1497	1497	36.28
15	E	1381	1381	3.65
15	E	1381	1381	3.65
16	E	1253	1253	252.76
16	E	1253	1253	252.75
17	E	1123	1123	36.71
17	E	1123	1123	36.72
18	E	1019	1019	32.51
18	E	1019	1019	32.51
19	E	547	547	8.77
19	E	547	547	8.77
20	E	311	311	0.28
20	E	311	311	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.319	0.180
C2	-1.142	-0.660	0.180
C3	1.142	-0.660	0.180
O4	-1.158	0.668	-0.264
O5	1.158	0.668	-0.264
O6	0.000	-1.337	-0.264
H7	0.000	2.320	-0.245
H8	0.000	1.364	1.282
H9	-2.009	-1.160	-0.245
H10	-1.181	-0.682	1.282
H11	2.009	-1.160	-0.245
H12	1.181	-0.682	1.282

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.2847	2.2847	1.4003	1.4003	2.6928	1.0870	1.1037	3.2188	2.5718	3.2188	2.5718
C2	2.2847		2.2847	1.4003	2.6928	1.4003	3.2188	2.5718	1.0870	1.1037	3.2188	2.5718
C3	2.2847	2.2847		2.6928	1.4003	1.4003	3.2188	2.5718	3.2188	2.5718	1.0870	1.1037
O4	1.4003	1.4003	2.6928		2.3155	2.3155	2.0167	2.0534	2.0167	2.0534	3.6565	3.1121
O5	1.4003	2.6928	1.4003	2.3155		2.3155	2.0167	2.0534	3.6565	3.1121	2.0167	2.0534
O6	2.6928	1.4003	1.4003	2.3155	2.3155		3.6565	3.1121	2.0167	2.0534	2.0167	2.0534
H7	1.0870	3.2188	3.2188	2.0167	2.0167	3.6565		1.8021	4.0176	3.5689	4.0176	3.5689
H8	1.1037	2.5718	2.5718	2.0534	2.0534	3.1121	1.8021		3.5689	2.3619	3.5689	2.3619
H9	3.2188	1.0870	3.2188	2.0167	3.6565	2.0167	4.0176	3.5689		1.8021	4.0176	3.5689
H10	2.5718	1.1037	2.5718	2.0534	3.1121	2.0534	3.5689	2.3619	1.8021		3.5689	2.3619
H11	3.2188	3.2188	1.0870	3.6565	2.0167	2.0167	4.0176	3.5689	4.0176	3.5689		1.8021
H12	2.5718	2.5718	1.1037	3.1121	2.0534	2.0534	3.5689	2.3619	3.5689	2.3619	1.8021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	109.325	C1	O5	C3	109.325
C2	O6	C3	109.325	O4	C1	O5	111.539
O4	C1	H7	107.680	O4	C1	H8	109.610
O4	C2	O6	111.539	O4	C2	H9	107.680
O4	C2	H10	109.610	O5	C1	H7	107.680
O5	C1	H8	109.610	O5	C3	O6	111.539
O5	C3	H11	107.680	O5	C3	H12	109.610
O6	C2	H9	107.680	O6	C2	H10	109.610
O6	C3	H11	107.680	O6	C3	H12	109.610
H7	C1	H8	110.695	H9	C2	H10	110.695
H11	C3	H12	110.695

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

using model chemistry: MP3=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: MP3=FULL/6-311G*

States and conformations

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