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	hartrees
Energy at 0K	-337.529590
Energy at 298.15K
HF Energy	-337.250913
Nuclear repulsion energy	261.748311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3460	3017	8.31
2	A	3275	2855	54.06
3	A	1678	1463	1.60
4	A	1464	1276	0.00
5	A	1332	1161	0.00
6	A	1298	1132	7.85
7	A	1215	1060	0.00
8	A	1007	878	24.52
9	A	736	642	9.25
10	A	477	416	13.66
11	E	3457	3014	0.62
11	E	3457	3014	0.62
12	E	3275	2856	13.33
12	E	3275	2856	13.33
13	E	1673	1459	3.86
13	E	1673	1459	3.86
14	E	1559	1359	42.01
14	E	1559	1359	42.01
15	E	1416	1235	1.72
15	E	1416	1235	1.72
16	E	1247	1087	59.32
16	E	1247	1087	59.32
17	E	1131	986	1.84
17	E	1131	986	1.84
18	E	1021	890	2.40
18	E	1021	890	2.40
19	E	534	466	5.67
19	E	534	466	5.67
20	E	304	265	0.68
20	E	304	265	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	-0.673	1.166	0.203
C2	-0.673	-1.166	0.203
C3	1.346	0.000	0.203
O4	-1.407	0.000	-0.295
O5	0.703	1.218	-0.295
O6	0.703	-1.218	-0.295
H7	-1.196	2.071	-0.185
H8	-0.683	1.183	1.329
H9	-1.196	-2.071	-0.185
H10	-0.683	-1.183	1.329
H11	2.392	0.000	-0.185
H12	1.366	0.000	1.329

	C1	C2	C3	O4	O5	O6	H7	H8	H9	H10	H11	H12
C1		2.3316	2.3316	1.4649	1.4649	2.7976	1.1151	1.1259	3.3017	2.6047	3.3017	2.6047
C2	2.3316		2.3316	1.4649	2.7976	1.4649	3.3017	2.6047	1.1151	1.1259	3.3017	2.6047
C3	2.3316	2.3316		2.7976	1.4649	1.4649	3.3017	2.6047	3.3017	2.6047	1.1151	1.1259
O4	1.4649	1.4649	2.7976		2.4363	2.4363	2.0848	2.1358	2.0848	2.1358	3.7998	3.2135
O5	1.4649	2.7976	1.4649	2.4363		2.4363	2.0848	2.1358	3.7998	3.2135	2.0848	2.1358
O6	2.7976	1.4649	1.4649	2.4363	2.4363		3.7998	3.2135	2.0848	2.1358	2.0848	2.1358
H7	1.1151	3.3017	3.3017	2.0848	2.0848	3.7998		1.8282	4.1423	3.6254	4.1423	3.6254
H8	1.1259	2.6047	2.6047	2.1358	2.1358	3.2135	1.8282		3.6254	2.3662	3.6254	2.3662
H9	3.3017	1.1151	3.3017	2.0848	3.7998	2.0848	4.1423	3.6254		1.8282	4.1423	3.6254
H10	2.6047	1.1259	2.6047	2.1358	3.2135	2.1358	3.6254	2.3662	1.8282		3.6254	2.3662
H11	3.3017	3.3017	1.1151	3.7998	2.0848	2.0848	4.1423	3.6254	4.1423	3.6254		1.8282
H12	2.6047	2.6047	1.1259	3.2135	2.1358	2.1358	3.6254	2.3662	3.6254	2.3662	1.8282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	105.470	C1	O5	C3	105.470
C2	O6	C3	105.470	O4	C1	O5	112.525
O4	C1	H7	107.041	O4	C1	H8	110.373
O4	C2	O6	112.525	O4	C2	H9	107.041
O4	C2	H10	110.373	O5	C1	H7	107.041
O5	C1	H8	110.373	O5	C3	O6	112.525
O5	C3	H11	107.041	O5	C3	H12	110.373
O6	C2	H9	107.041	O6	C2	H10	110.373
O6	C3	H11	107.041	O6	C3	H12	110.373
H7	C1	H8	109.337	H9	C2	H10	109.337
H11	C3	H12	109.337

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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