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	hartrees
Energy at 0K	-1310.900375
Energy at 298.15K	-1310.892674
HF Energy	-1309.614966
Nuclear repulsion energy	452.453040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3321	3129	3.18
2	A₁	3250	3062	41.95
3	A₁	1599	1507	9.45
4	A₁	1024	965	18.49
5	A₁	709	668	6.89
6	A₁	442	417	0.08
7	A₁	309	291	3.03
8	A₂	1355	1276	0.00
9	A₂	1239	1167	0.00
10	A₂	862	812	0.00
11	E	3323	3131	0.36
11	E	3323	3131	0.36
12	E	3252	3064	6.98
12	E	3252	3064	6.98
13	E	1583	1491	4.12
13	E	1583	1491	4.12
14	E	1411	1330	22.44
14	E	1411	1330	22.44
15	E	1331	1254	22.23
15	E	1331	1254	22.23
16	E	890	839	0.60
16	E	890	839	0.60
17	E	828	780	21.18
17	E	828	780	21.18
18	E	723	682	0.40
18	E	723	682	0.40
19	E	309	292	0.75
19	E	309	292	0.75
20	E	189	178	0.02
20	E	189	178	0.02

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	99.638	C1	S6	C3	99.638
C2	S5	C3	99.638	S4	C1	S6	116.380
S4	C1	H7	109.793	S4	C1	H10	106.372
S4	C2	S5	116.380	S4	C2	H8	109.793
S4	C2	H11	106.372	S5	C2	H8	109.793
S5	C2	H11	106.372	S5	C3	S6	116.380
S5	C3	H9	109.793	S5	C3	H12	106.372
S6	C1	H7	109.793	S6	C1	H10	106.372
S6	C3	H9	109.793	S6	C3	H12	106.372
H7	C1	H10	107.700	H8	C2	H11	107.700
H9	C3	H12	107.700

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

using model chemistry: G2

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: G2

States and conformations

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