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	hartrees
Energy at 0K	-1310.501639
Energy at 298.15K	-1310.509645
HF Energy	-1309.626472
Nuclear repulsion energy	451.479323

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3198	3023	2.20
2	A₁	3112	2942	37.23
3	A₁	1470	1389	9.46
4	A₁	955	903	14.20
5	A₁	679	642	2.70
6	A₁	414	391	0.01
7	A₁	305	289	1.21
8	A₂	1267	1198	0.00
9	A₂	1154	1091	0.00
10	A₂	802	758	0.00
11	E	3199	3025	0.64
11	E	3199	3025	0.64
12	E	3117	2947	4.87
12	E	3117	2947	4.87
13	E	1454	1375	3.61
13	E	1454	1375	3.61
14	E	1323	1250	19.97
14	E	1323	1250	19.97
15	E	1238	1170	17.87
15	E	1238	1170	17.87
16	E	829	783	0.88
16	E	829	783	0.88
17	E	777	735	21.11
17	E	777	735	21.11
18	E	689	652	0.65
18	E	689	652	0.65
19	E	288	273	0.97
19	E	288	273	0.97
20	E	189	178	0.00
20	E	189	178	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.584	0.406
C2	1.372	-0.792	0.406
C3	-1.372	-0.792	0.406
S4	1.544	0.892	-0.255
S5	0.000	-1.783	-0.255
S6	-1.544	0.892	-0.255
H7	0.000	1.508	1.496
H8	1.306	-0.754	1.496
H9	-1.306	-0.754	1.496
H10	0.000	2.642	0.147
H11	2.288	-1.321	0.147
H12	-2.288	-1.321	0.147

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7432	2.7432	1.8168	3.4314	1.8168	1.0922	2.8910	2.8910	1.0891	3.7064	3.7064
C2	2.7432		2.7432	1.8168	1.8168	3.4313	2.8910	1.0922	2.8910	3.7064	1.0891	3.7064
C3	2.7432	2.7432		3.4313	1.8168	1.8168	2.8910	2.8910	1.0922	3.7064	3.7064	1.0891
S4	1.8168	1.8168	3.4313		3.0889	3.0889	2.4144	2.4144	3.7279	2.3684	2.3684	4.4432
S5	3.4314	1.8168	1.8168	3.0889		3.0889	3.7279	2.4144	2.4144	4.4432	2.3684	2.3684
S6	1.8168	3.4313	1.8168	3.0889	3.0889		2.4144	3.7279	2.4144	2.3684	4.4432	2.3684
H7	1.0922	2.8910	2.8910	2.4144	3.7279	2.4144		2.6120	2.6120	1.7617	3.8801	3.8801
H8	2.8910	1.0922	2.8910	2.4144	2.4144	3.7279	2.6120		2.6120	3.8801	1.7617	3.8801
H9	2.8910	2.8910	1.0922	3.7279	2.4144	2.4144	2.6120	2.6120		3.8801	3.8801	1.7617
H10	1.0891	3.7064	3.7064	2.3684	4.4432	2.3684	1.7617	3.8801	3.8801		4.5755	4.5755
H11	3.7064	1.0891	3.7064	2.3684	2.3684	4.4432	3.8801	1.7617	3.8801	4.5755		4.5755
H12	3.7064	3.7064	1.0891	4.4432	2.3684	2.3684	3.8801	3.8801	1.7617	4.5755	4.5755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	98.038	C1	S6	C3	98.038
C2	S5	C3	98.038	S4	C1	S6	116.437
S4	C1	H7	109.660	S4	C1	H10	106.473
S4	C2	S5	116.437	S4	C2	H8	109.660
S4	C2	H11	106.473	S5	C2	H8	109.660
S5	C2	H11	106.473	S5	C3	S6	116.437
S5	C3	H9	109.660	S5	C3	H12	106.473
S6	C1	H7	109.660	S6	C1	H10	106.473
S6	C3	H9	109.660	S6	C3	H12	106.473
H7	C1	H10	107.725	H8	C2	H11	107.725
H9	C3	H12	107.725

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

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

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