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	hartrees
Energy at 0K	-1310.573301
Energy at 298.15K	-1310.581304
HF Energy	-1309.701632
Nuclear repulsion energy	451.674972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	3000	3.35
2	A₁	3057	2927	47.81
3	A₁	1472	1410	15.34
4	A₁	952	911	24.41
5	A₁	677	648	2.34
6	A₁	414	396	0.13
7	A₁	309	296	1.41
8	A₂	1265	1211	0.00
9	A₂	1165	1115	0.00
10	A₂	793	759	0.00
11	E	3134	3001	0.62
11	E	3134	3001	0.62
12	E	3060	2930	4.87
12	E	3060	2930	4.87
13	E	1454	1392	5.72
13	E	1454	1392	5.72
14	E	1319	1263	16.42
14	E	1319	1263	16.42
15	E	1252	1198	15.92
15	E	1252	1198	15.92
16	E	821	786	1.22
16	E	821	786	1.22
17	E	771	738	25.11
17	E	771	738	25.11
18	E	685	656	1.09
18	E	685	656	1.09
19	E	289	276	1.00
19	E	289	276	1.00
20	E	191	183	0.00
20	E	191	183	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.580	0.408
C2	1.369	-0.790	0.408
C3	-1.369	-0.790	0.408
S4	1.543	0.891	-0.256
S5	0.000	-1.782	-0.256
S6	-1.543	0.891	-0.256
H7	0.000	1.500	1.501
H8	1.299	-0.750	1.501
H9	-1.299	-0.750	1.501
H10	0.000	2.644	0.154
H11	2.290	-1.322	0.154
H12	-2.290	-1.322	0.154

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7371	2.7371	1.8159	3.4273	1.8159	1.0960	2.8830	2.8830	1.0934	3.7052	3.7052
C2	2.7371		2.7371	1.8159	1.8159	3.4273	2.8830	1.0960	2.8830	3.7052	1.0934	3.7052
C3	2.7371	2.7371		3.4273	1.8159	1.8159	2.8830	2.8830	1.0960	3.7052	3.7052	1.0934
S4	1.8159	1.8159	3.4273		3.0867	3.0867	2.4164	2.4164	3.7226	2.3710	2.3710	4.4448
S5	3.4273	1.8159	1.8159	3.0867		3.0867	3.7226	2.4164	2.4164	4.4448	2.3710	2.3710
S6	1.8159	3.4273	1.8159	3.0867	3.0867		2.4164	3.7226	2.4164	2.3710	4.4448	2.3710
H7	1.0960	2.8830	2.8830	2.4164	3.7226	2.4164		2.5979	2.5979	1.7672	3.8754	3.8754
H8	2.8830	1.0960	2.8830	2.4164	2.4164	3.7226	2.5979		2.5979	3.8754	1.7672	3.8754
H9	2.8830	2.8830	1.0960	3.7226	2.4164	2.4164	2.5979	2.5979		3.8754	3.8754	1.7672
H10	1.0934	3.7052	3.7052	2.3710	4.4448	2.3710	1.7672	3.8754	3.8754		4.5791	4.5791
H11	3.7052	1.0934	3.7052	2.3710	2.3710	4.4448	3.8754	1.7672	3.8754	4.5791		4.5791
H12	3.7052	3.7052	1.0934	4.4448	2.3710	2.3710	3.8754	3.8754	1.7672	4.5791	4.5791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.811	C1	S6	C3	97.811
C2	S5	C3	97.811	S4	C1	S6	116.400
S4	C1	H7	109.678	S4	C1	H10	106.511
S4	C2	S5	116.400	S4	C2	H8	109.678
S4	C2	H11	106.511	S5	C2	H8	109.678
S5	C2	H11	106.511	S5	C3	S6	116.400
S5	C3	H9	109.678	S5	C3	H12	106.511
S6	C1	H7	109.678	S6	C1	H10	106.511
S6	C3	H9	109.678	S6	C3	H12	106.511
H7	C1	H10	107.642	H8	C2	H11	107.642
H9	C3	H12	107.642

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

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

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