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	hartrees
Energy at 0K	-1310.423027
Energy at 298.15K	-1310.431078
HF Energy	-1309.613838
Nuclear repulsion energy	453.366372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3197	3012	1.35
2	A₁	3109	2929	32.05
3	A₁	1499	1412	17.06
4	A₁	962	906	17.33
5	A₁	691	652	4.68
6	A₁	419	394	0.04
7	A₁	311	293	1.94
8	A₂	1277	1203	0.00
9	A₂	1180	1111	0.00
10	A₂	807	760	0.00
11	E	3199	3014	0.06
11	E	3199	3014	0.06
12	E	3116	2936	2.00
12	E	3116	2936	2.00
13	E	1481	1395	6.29
13	E	1481	1395	6.29
14	E	1331	1254	17.72
14	E	1331	1254	17.72
15	E	1265	1192	20.07
15	E	1265	1192	20.07
16	E	838	789	0.27
16	E	838	789	0.27
17	E	787	742	25.39
17	E	787	742	25.39
18	E	702	662	1.12
18	E	702	662	1.12
19	E	293	276	1.28
19	E	293	276	1.28
20	E	192	181	0.01
20	E	192	181	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.574	0.406
C2	1.363	-0.787	0.406
C3	-1.363	-0.787	0.406
S4	1.537	0.888	-0.256
S5	0.000	-1.775	-0.256
S6	-1.537	0.888	-0.256
H7	0.000	1.489	1.498
H8	1.290	-0.745	1.498
H9	-1.290	-0.745	1.498
H10	0.000	2.637	0.155
H11	2.284	-1.318	0.155
H12	-2.284	-1.318	0.155

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7256	2.7256	1.8088	3.4135	1.8088	1.0952	2.8689	2.8689	1.0923	3.6933	3.6933
C2	2.7256		2.7256	1.8088	1.8088	3.4135	2.8689	1.0952	2.8689	3.6933	1.0923	3.6933
C3	2.7256	2.7256		3.4135	1.8088	1.8088	2.8689	2.8689	1.0952	3.6933	3.6933	1.0923
S4	1.8088	1.8088	3.4135		3.0748	3.0748	2.4084	2.4084	3.7057	2.3648	2.3648	4.4311
S5	3.4135	1.8088	1.8088	3.0748		3.0748	3.7057	2.4084	2.4084	4.4311	2.3648	2.3648
S6	1.8088	3.4135	1.8088	3.0748	3.0748		2.4084	3.7057	2.4084	2.3648	4.4311	2.3648
H7	1.0952	2.8689	2.8689	2.4084	3.7057	2.4084		2.5797	2.5797	1.7660	3.8601	3.8601
H8	2.8689	1.0952	2.8689	2.4084	2.4084	3.7057	2.5797		2.5797	3.8601	1.7660	3.8601
H9	2.8689	2.8689	1.0952	3.7057	2.4084	2.4084	2.5797	2.5797		3.8601	3.8601	1.7660
H10	1.0923	3.6933	3.6933	2.3648	4.4311	2.3648	1.7660	3.8601	3.8601		4.5670	4.5670
H11	3.6933	1.0923	3.6933	2.3648	2.3648	4.4311	3.8601	1.7660	3.8601	4.5670		4.5670
H12	3.6933	3.6933	1.0923	4.4311	2.3648	2.3648	3.8601	3.8601	1.7660	4.5670	4.5670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.775	C1	S6	C3	97.775
C2	S5	C3	97.775	S4	C1	S6	116.412
S4	C1	H7	109.602	S4	C1	H10	106.575
S4	C2	S5	116.412	S4	C2	H8	109.602
S4	C2	H11	106.575	S5	C2	H8	109.601
S5	C2	H11	106.575	S5	C3	S6	116.412
S5	C3	H9	109.601	S5	C3	H12	106.575
S6	C1	H7	109.602	S6	C1	H10	106.575
S6	C3	H9	109.602	S6	C3	H12	106.575
H7	C1	H10	107.668	H8	C2	H11	107.668
H9	C3	H12	107.668

All results from a given calculation for C₃H₆S₃ (1,3,5-Trithiane)

using model chemistry: MP2=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 C3H6S3 (1,3,5-Trithiane)

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

States and conformations

All results from a given calculation for C₃H₆S₃ (1,3,5-Trithiane)