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	hartrees
Energy at 0K	-342.613388
Energy at 298.15K
HF Energy	-341.660488
Nuclear repulsion energy	270.387363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3254	3047	12.89
2	A₁	3050	2857	168.58
3	A₁	1582	1481	3.82
4	A₁	1270	1189	22.12
5	A₁	1007	943	80.27
6	A₁	763	714	0.96
7	A₁	483	452	20.24
8	A₂	1426	1335	0.00
9	A₂	1275	1194	0.00
10	A₂	1017	953	0.00
11	E	3251	3044	30.86
11	E	3251	3044	30.86
12	E	3036	2843	21.77
12	E	3036	2843	21.77
13	E	1562	1463	0.01
13	E	1562	1463	0.01
14	E	1481	1387	38.70
14	E	1481	1387	38.70
15	E	1359	1273	1.37
15	E	1359	1273	1.37
16	E	1221	1143	227.73
16	E	1221	1143	227.73
17	E	1110	1040	54.05
17	E	1110	1040	54.05
18	E	984	922	36.92
18	E	984	922	36.92
19	E	529	495	9.87
19	E	529	495	9.87
20	E	307	288	0.12
20	E	307	288	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.325	0.185
C2	-1.147	-0.662	0.185
C3	1.147	-0.662	0.185
O4	-1.168	0.674	-0.271
O5	1.168	0.674	-0.271
O6	0.000	-1.349	-0.271
H7	0.000	2.327	-0.230
H8	0.000	1.352	1.286
H9	-2.015	-1.163	-0.230
H10	-1.171	-0.676	1.286
H11	2.015	-1.163	-0.230
H12	1.171	-0.676	1.286

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.2944	2.2944	1.4125	1.4125	2.7122	1.0847	1.1012	3.2285	2.5664	3.2285	2.5664
C2	2.2944		2.2944	1.4125	2.7122	1.4125	3.2285	2.5664	1.0847	1.1012	3.2285	2.5664
C3	2.2944	2.2944		2.7122	1.4125	1.4125	3.2285	2.5664	3.2285	2.5664	1.0847	1.1012
O4	1.4125	1.4125	2.7122		2.3364	2.3364	2.0240	2.0609	2.0240	2.0609	3.6759	3.1176
O5	1.4125	2.7122	1.4125	2.3364		2.3364	2.0240	2.0609	3.6759	3.1176	2.0240	2.0609
O6	2.7122	1.4125	1.4125	2.3364	2.3364		3.6759	3.1176	2.0240	2.0609	2.0240	2.0609
H7	1.0847	3.2285	3.2285	2.0240	2.0240	3.6759		1.8021	4.0301	3.5619	4.0301	3.5619
H8	1.1012	2.5664	2.5664	2.0609	2.0609	3.1176	1.8021		3.5619	2.3422	3.5619	2.3422
H9	3.2285	1.0847	3.2285	2.0240	3.6759	2.0240	4.0301	3.5619		1.8021	4.0301	3.5619
H10	2.5664	1.1012	2.5664	2.0609	3.1176	2.0609	3.5619	2.3422	1.8021		3.5619	2.3422
H11	3.2285	3.2285	1.0847	3.6759	2.0240	2.0240	4.0301	3.5619	4.0301	3.5619		1.8021
H12	2.5664	2.5664	1.1012	3.1176	2.0609	2.0609	3.5619	2.3422	3.5619	2.3422	1.8021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	108.615	C1	O5	C3	108.615
C2	O6	C3	108.615	O4	C1	O5	111.587
O4	C1	H7	107.565	O4	C1	H8	109.520
O4	C2	O6	111.587	O4	C2	H9	107.565
O4	C2	H10	109.520	O5	C1	H7	107.565
O5	C1	H8	109.520	O5	C3	O6	111.587
O5	C3	H11	107.565	O5	C3	H12	109.520
O6	C2	H9	107.565	O6	C2	H10	109.520
O6	C3	H11	107.565	O6	C3	H12	109.520
H7	C1	H8	111.064	H9	C2	H10	111.064
H11	C3	H12	111.064

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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