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	hartrees
Energy at 0K	-1310.756262
Energy at 298.15K	-1310.764224
HF Energy	-1309.715755
Nuclear repulsion energy	450.912089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3213	3000	1.84
2	A₁	3120	2913	41.89
3	A₁	1457	1360	9.33
4	A₁	945	882	15.28
5	A₁	676	632	3.88
6	A₁	409	382	0.02
7	A₁	304	284	1.69
8	A₂	1260	1176	0.00
9	A₂	1154	1077	0.00
10	A₂	794	741	0.00
11	E	3213	3000	0.72
11	E	3213	3000	0.72
12	E	3125	2918	4.22
12	E	3125	2918	4.22
13	E	1441	1345	2.50
13	E	1441	1345	2.50
14	E	1321	1233	19.65
14	E	1321	1233	19.65
15	E	1240	1158	11.72
15	E	1240	1158	11.72
16	E	808	754	3.00
16	E	808	754	3.00
17	E	767	716	20.49
17	E	767	716	20.49
18	E	684	638	0.28
18	E	684	638	0.28
19	E	279	261	1.06
19	E	279	261	1.06
20	E	186	174	0.00
20	E	186	174	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.581	0.410
C2	1.370	-0.791	0.410
C3	-1.370	-0.791	0.410
S4	1.549	0.894	-0.257
S5	0.000	-1.788	-0.257
S6	-1.549	0.894	-0.257
H7	0.000	1.486	1.494
H8	1.287	-0.743	1.494
H9	-1.287	-0.743	1.494
H10	0.000	2.637	0.160
H11	2.284	-1.319	0.160
H12	-2.284	-1.319	0.160

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7392	2.7392	1.8210	3.4351	1.8210	1.0883	2.8694	2.8694	1.0848	3.6998	3.6998
C2	2.7392		2.7392	1.8210	1.8210	3.4351	2.8694	1.0883	2.8694	3.6998	1.0848	3.6998
C3	2.7392	2.7392		3.4351	1.8210	1.8210	2.8694	2.8694	1.0883	3.6998	3.6998	1.0848
S4	1.8210	1.8210	3.4351		3.0972	3.0972	2.4116	2.4116	3.7129	2.3686	2.3686	4.4449
S5	3.4351	1.8210	1.8210	3.0972		3.0972	3.7129	2.4116	2.4116	4.4449	2.3686	2.3686
S6	1.8210	3.4351	1.8210	3.0972	3.0972		2.4116	3.7129	2.4116	2.3686	4.4449	2.3686
H7	1.0883	2.8694	2.8694	2.4116	3.7129	2.4116		2.5733	2.5733	1.7622	3.8547	3.8547
H8	2.8694	1.0883	2.8694	2.4116	2.4116	3.7129	2.5733		2.5733	3.8547	1.7622	3.8547
H9	2.8694	2.8694	1.0883	3.7129	2.4116	2.4116	2.5733	2.5733		3.8547	3.8547	1.7622
H10	1.0848	3.6998	3.6998	2.3686	4.4449	2.3686	1.7622	3.8547	3.8547		4.5675	4.5675
H11	3.6998	1.0848	3.6998	2.3686	2.3686	4.4449	3.8547	1.7622	3.8547	4.5675		4.5675
H12	3.6998	3.6998	1.0848	4.4449	2.3686	2.3686	3.8547	3.8547	1.7622	4.5675	4.5675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.550	C1	S6	C3	97.550
C2	S5	C3	97.550	S4	C1	S6	116.515
S4	C1	H7	109.378	S4	C1	H10	106.433
S4	C2	S5	116.515	S4	C2	H8	109.378
S4	C2	H11	106.433	S5	C2	H8	109.378
S5	C2	H11	106.433	S5	C3	S6	116.515
S5	C3	H9	109.378	S5	C3	H12	106.433
S6	C1	H7	109.378	S6	C1	H10	106.433
S6	C3	H9	109.378	S6	C3	H12	106.433
H7	C1	H10	108.372	H8	C2	H11	108.372
H9	C3	H12	108.372

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

using model chemistry: MP3=FULL/TZVP

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: MP3=FULL/TZVP

States and conformations

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