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	hartrees
Energy at 0K	-1311.898655
Energy at 298.15K
HF Energy	-1311.616905
Nuclear repulsion energy	450.351264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3183	3183	1.95
2	A₁	3094	3094	39.14
3	A₁	1473	1473	12.38
4	A₁	942	942	15.46
5	A₁	665	665	4.70
6	A₁	406	406	0.03
7	A₁	295	295	2.03
8	A₂	1234	1234	0.00
9	A₂	1145	1145	0.00
10	A₂	757	757	0.00
11	E	3185	3185	0.02
11	E	3185	3185	0.02
12	E	3100	3100	3.78
12	E	3100	3100	3.78
13	E	1457	1457	4.40
13	E	1457	1457	4.40
14	E	1291	1291	21.60
14	E	1291	1291	21.59
15	E	1231	1231	19.52
15	E	1231	1231	19.53
16	E	814	814	0.07
16	E	814	814	0.07
17	E	748	748	30.23
17	E	748	748	30.23
18	E	673	673	1.91
18	E	673	673	1.91
19	E	287	287	1.42
19	E	287	287	1.42
20	E	184	184	0.00
20	E	184	184	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.591	0.404
C2	1.377	-0.795	0.404
C3	-1.377	-0.795	0.404
S4	1.549	0.894	-0.253
S5	0.000	-1.789	-0.253
S6	-1.549	0.894	-0.253
H7	0.000	1.519	1.493
H8	1.315	-0.759	1.493
H9	-1.315	-0.759	1.493
H10	0.000	2.646	0.136
H11	2.292	-1.323	0.136
H12	-2.292	-1.323	0.136

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7550	2.7550	1.8209	3.4425	1.8209	1.0922	2.9050	2.9050	1.0890	3.7166	3.7166
C2	2.7550		2.7550	1.8209	1.8209	3.4425	2.9050	1.0922	2.9050	3.7166	1.0890	3.7166
C3	2.7550	2.7550		3.4425	1.8209	1.8209	2.9050	2.9050	1.0922	3.7166	3.7166	1.0890
S4	1.8209	1.8209	3.4425		3.0982	3.0982	2.4165	2.4165	3.7401	2.3706	2.3706	4.4519
S5	3.4425	1.8209	1.8209	3.0982		3.0982	3.7401	2.4165	2.4165	4.4519	2.3706	2.3706
S6	1.8209	3.4425	1.8209	3.0982	3.0982		2.4165	3.7401	2.4165	2.3706	4.4519	2.3706
H7	1.0922	2.9050	2.9050	2.4165	3.7401	2.4165		2.6303	2.6303	1.7648	3.8948	3.8948
H8	2.9050	1.0922	2.9050	2.4165	2.4165	3.7401	2.6303		2.6303	3.8948	1.7648	3.8948
H9	2.9050	2.9050	1.0922	3.7401	2.4165	2.4165	2.6303	2.6303		3.8948	3.8948	1.7648
H10	1.0890	3.7166	3.7166	2.3706	4.4519	2.3706	1.7648	3.8948	3.8948		4.5833	4.5833
H11	3.7166	1.0890	3.7166	2.3706	2.3706	4.4519	3.8948	1.7648	3.8948	4.5833		4.5833
H12	3.7166	3.7166	1.0890	4.4519	2.3706	2.3706	3.8948	3.8948	1.7648	4.5833	4.5833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	98.312	C1	S6	C3	98.312
C2	S5	C3	98.312	S4	C1	S6	116.581
S4	C1	H7	109.552	S4	C1	H10	106.377
S4	C2	S5	116.581	S4	C2	H8	109.552
S4	C2	H11	106.377	S5	C2	H8	109.552
S5	C2	H11	106.377	S5	C3	S6	116.581
S5	C3	H9	109.552	S5	C3	H12	106.377
S6	C1	H7	109.552	S6	C1	H10	106.377
S6	C3	H9	109.552	S6	C3	H12	106.377
H7	C1	H10	108.013	H8	C2	H11	108.013
H9	C3	H12	108.013

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G**

States and conformations

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