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	hartrees
Energy at 0K	-342.610696
Energy at 298.15K
HF Energy	-341.652910
Nuclear repulsion energy	270.914535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	3028	11.26
2	A₁	3034	2846	158.55
3	A₁	1592	1494	4.08
4	A₁	1290	1211	23.97
5	A₁	1027	964	83.42
6	A₁	785	737	1.08
7	A₁	480	450	23.18
8	A₂	1437	1348	0.00
9	A₂	1290	1210	0.00
10	A₂	1083	1016	0.00
11	E	3223	3025	30.18
11	E	3223	3025	30.18
12	E	3019	2832	18.04
12	E	3019	2832	18.04
13	E	1571	1474	0.29
13	E	1571	1474	0.29
14	E	1494	1402	39.84
14	E	1494	1402	39.85
15	E	1374	1290	2.53
15	E	1374	1290	2.53
16	E	1250	1173	248.13
16	E	1250	1173	248.13
17	E	1127	1057	38.01
17	E	1127	1057	38.01
18	E	1009	947	31.15
18	E	1009	947	31.15
19	E	542	508	10.10
19	E	542	508	10.10
20	E	304	286	0.20
20	E	304	286	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.327	0.181
C2	-1.149	-0.663	0.181
C3	1.149	-0.663	0.181
O4	-1.162	0.671	-0.266
O5	1.162	0.671	-0.266
O6	0.000	-1.342	-0.266
H7	0.000	2.327	-0.247
H8	0.000	1.373	1.285
H9	-2.015	-1.164	-0.247
H10	-1.189	-0.687	1.285
H11	2.015	-1.164	-0.247
H12	1.189	-0.687	1.285

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.2978	2.2978	1.4073	1.4073	2.7057	1.0883	1.1042	3.2321	2.5854	3.2321	2.5854
C2	2.2978		2.2978	1.4073	2.7057	1.4073	3.2321	2.5854	1.0883	1.1042	3.2321	2.5854
C3	2.2978	2.2978		2.7057	1.4073	1.4073	3.2321	2.5854	3.2321	2.5854	1.0883	1.1042
O4	1.4073	1.4073	2.7057		2.3242	2.3242	2.0234	2.0610	2.0234	2.0610	3.6692	3.1266
O5	1.4073	2.7057	1.4073	2.3242		2.3242	2.0234	2.0610	3.6692	3.1266	2.0234	2.0610
O6	2.7057	1.4073	1.4073	2.3242	2.3242		3.6692	3.1266	2.0234	2.0610	2.0234	2.0610
H7	1.0883	3.2321	3.2321	2.0234	2.0234	3.6692		1.8042	4.0309	3.5836	4.0309	3.5836
H8	1.1042	2.5854	2.5854	2.0610	2.0610	3.1266	1.8042		3.5836	2.3784	3.5836	2.3784
H9	3.2321	1.0883	3.2321	2.0234	3.6692	2.0234	4.0309	3.5836		1.8042	4.0309	3.5836
H10	2.5854	1.1042	2.5854	2.0610	3.1266	2.0610	3.5836	2.3784	1.8042		3.5836	2.3784
H11	3.2321	3.2321	1.0883	3.6692	2.0234	2.0234	4.0309	3.5836	4.0309	3.5836		1.8042
H12	2.5854	2.5854	1.1042	3.1266	2.0610	2.0610	3.5836	2.3784	3.5836	2.3784	1.8042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	109.448	C1	O5	C3	109.448
C2	O6	C3	109.448	O4	C1	O5	111.338
O4	C1	H7	107.660	O4	C1	H8	109.704
O4	C2	O6	111.338	O4	C2	H9	107.660
O4	C2	H10	109.704	O5	C1	H7	107.660
O5	C1	H8	109.704	O5	C3	O6	111.338
O5	C3	H11	107.660	O5	C3	H12	109.704
O6	C2	H9	107.660	O6	C2	H10	109.704
O6	C3	H11	107.660	O6	C3	H12	109.704
H7	C1	H8	110.744	H9	C2	H10	110.744
H11	C3	H12	110.744

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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