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	hartrees
Energy at 0K	-1310.526229
Energy at 298.15K	-1310.534287
HF Energy	-1309.624029
Nuclear repulsion energy	452.537941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3247	3247	2.22
2	A₁	3160	3160	38.11
3	A₁	1505	1505	12.23
4	A₁	964	964	16.19
5	A₁	689	689	4.15
6	A₁	418	418	0.10
7	A₁	305	305	1.78
8	A₂	1279	1279	0.00
9	A₂	1179	1179	0.00
10	A₂	814	814	0.00
11	E	3248	3248	0.22
11	E	3248	3248	0.22
12	E	3165	3165	3.18
12	E	3165	3165	3.18
13	E	1488	1488	4.22
13	E	1488	1488	4.22
14	E	1333	1333	20.64
14	E	1333	1333	20.64
15	E	1265	1265	18.46
15	E	1265	1265	18.46
16	E	834	834	0.64
16	E	834	834	0.64
17	E	788	788	18.95
17	E	788	788	18.95
18	E	699	699	0.69
18	E	699	699	0.69
19	E	295	295	0.93
19	E	295	295	0.93
20	E	188	188	0.00
20	E	188	188	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.580	0.404
C2	1.368	-0.790	0.404
C3	-1.368	-0.790	0.404
S4	1.542	0.890	-0.254
S5	0.000	-1.780	-0.254
S6	-1.542	0.890	-0.254
H7	0.000	1.502	1.489
H8	1.300	-0.751	1.489
H9	-1.300	-0.751	1.489
H10	0.000	2.634	0.148
H11	2.281	-1.317	0.148
H12	-2.281	-1.317	0.148

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7362	2.7362	1.8125	3.4238	1.8125	1.0881	2.8810	2.8810	1.0849	3.6960	3.6960
C2	2.7362		2.7362	1.8125	1.8125	3.4238	2.8810	1.0881	2.8810	3.6960	1.0849	3.6960
C3	2.7362	2.7362		3.4238	1.8125	1.8125	2.8810	2.8810	1.0881	3.6960	3.6960	1.0849
S4	1.8125	1.8125	3.4238		3.0837	3.0837	2.4058	2.4058	3.7159	2.3621	2.3621	4.4327
S5	3.4238	1.8125	1.8125	3.0837		3.0837	3.7159	2.4058	2.4058	4.4327	2.3621	2.3621
S6	1.8125	3.4238	1.8125	3.0837	3.0837		2.4058	3.7159	2.4058	2.3621	4.4327	2.3621
H7	1.0881	2.8810	2.8810	2.4058	3.7159	2.4058		2.6007	2.6007	1.7554	3.8661	3.8661
H8	2.8810	1.0881	2.8810	2.4058	2.4058	3.7159	2.6007		2.6007	3.8661	1.7554	3.8661
H9	2.8810	2.8810	1.0881	3.7159	2.4058	2.4058	2.6007	2.6007		3.8661	3.8661	1.7554
H10	1.0849	3.6960	3.6960	2.3621	4.4327	2.3621	1.7554	3.8661	3.8661		4.5623	4.5623
H11	3.6960	1.0849	3.6960	2.3621	2.3621	4.4327	3.8661	1.7554	3.8661	4.5623		4.5623
H12	3.6960	3.6960	1.0849	4.4327	2.3621	2.3621	3.8661	3.8661	1.7554	4.5623	4.5623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	98.022	C1	S6	C3	98.022
C2	S5	C3	98.022	S4	C1	S6	116.576
S4	C1	H7	109.537	S4	C1	H10	106.508
S4	C2	S5	116.576	S4	C2	H8	109.537
S4	C2	H11	106.508	S5	C2	H8	109.537
S5	C2	H11	106.508	S5	C3	S6	116.576
S5	C3	H9	109.537	S5	C3	H12	106.508
S6	C1	H7	109.537	S6	C1	H10	106.508
S6	C3	H9	109.537	S6	C3	H12	106.508
H7	C1	H10	107.768	H8	C2	H11	107.768
H9	C3	H12	107.768

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G**

States and conformations

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