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	hartrees
Energy at 0K	-1310.486157
Energy at 298.15K	-1310.494196
HF Energy	-1309.626357
Nuclear repulsion energy	453.717152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	3020	1.37
2	A₁	3119	2930	33.63
3	A₁	1456	1367	12.49
4	A₁	951	893	14.56
5	A₁	688	646	2.85
6	A₁	414	389	0.01
7	A₁	311	292	1.17
8	A₂	1262	1185	0.00
9	A₂	1154	1084	0.00
10	A₂	804	755	0.00
11	E	3217	3022	0.01
11	E	3217	3022	0.01
12	E	3127	2937	3.26
12	E	3127	2937	3.26
13	E	1440	1353	5.17
13	E	1440	1353	5.17
14	E	1319	1239	18.98
14	E	1319	1239	18.98
15	E	1239	1164	18.52
15	E	1239	1164	18.52
16	E	827	776	1.14
16	E	827	776	1.14
17	E	783	735	24.36
17	E	783	735	24.36
18	E	698	656	0.90
18	E	698	656	0.90
19	E	288	271	1.16
19	E	288	271	1.16
20	E	193	181	0.00
20	E	193	181	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.571	0.406
C2	1.361	-0.786	0.406
C3	-1.361	-0.786	0.406
S4	1.537	0.887	-0.256
S5	0.000	-1.775	-0.256
S6	-1.537	0.887	-0.256
H7	0.000	1.488	1.495
H8	1.288	-0.744	1.495
H9	-1.288	-0.744	1.495
H10	0.000	2.630	0.157
H11	2.278	-1.315	0.157
H12	-2.278	-1.315	0.157

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7213	2.7213	1.8078	3.4109	1.8078	1.0916	2.8643	2.8643	1.0882	3.6854	3.6854
C2	2.7213		2.7213	1.8078	1.8078	3.4109	2.8643	1.0916	2.8643	3.6854	1.0882	3.6854
C3	2.7213	2.7213		3.4109	1.8078	1.8078	2.8643	2.8643	1.0916	3.6854	3.6854	1.0882
S4	1.8078	1.8078	3.4109		3.0743	3.0743	2.4055	2.4055	3.7025	2.3601	2.3601	4.4245
S5	3.4109	1.8078	1.8078	3.0743		3.0743	3.7025	2.4055	2.4055	4.4245	2.3601	2.3601
S6	1.8078	3.4109	1.8078	3.0743	3.0743		2.4055	3.7025	2.4055	2.3601	4.4245	2.3601
H7	1.0916	2.8643	2.8643	2.4055	3.7025	2.4055		2.5769	2.5769	1.7595	3.8517	3.8517
H8	2.8643	1.0916	2.8643	2.4055	2.4055	3.7025	2.5769		2.5769	3.8517	1.7595	3.8517
H9	2.8643	2.8643	1.0916	3.7025	2.4055	2.4055	2.5769	2.5769		3.8517	3.8517	1.7595
H10	1.0882	3.6854	3.6854	2.3601	4.4245	2.3601	1.7595	3.8517	3.8517		4.5558	4.5558
H11	3.6854	1.0882	3.6854	2.3601	2.3601	4.4245	3.8517	1.7595	3.8517	4.5558		4.5558
H12	3.6854	3.6854	1.0882	4.4245	2.3601	2.3601	3.8517	3.8517	1.7595	4.5558	4.5558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.640	C1	S6	C3	97.640
C2	S5	C3	97.640	S4	C1	S6	116.484
S4	C1	H7	109.641	S4	C1	H10	106.506
S4	C2	S5	116.484	S4	C2	H8	109.641
S4	C2	H11	106.506	S5	C2	H8	109.641
S5	C2	H11	106.506	S5	C3	S6	116.484
S5	C3	H9	109.641	S5	C3	H12	106.506
S6	C1	H7	109.641	S6	C1	H10	106.506
S6	C3	H9	109.641	S6	C3	H12	106.506
H7	C1	H10	107.640	H8	C2	H11	107.640
H9	C3	H12	107.640

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

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

States and conformations

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