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	hartrees
Energy at 0K	-1310.664338
Energy at 298.15K	-1310.672167
HF Energy	-1309.714675
Nuclear repulsion energy	449.375083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3155	3038
2	A₁	3060	2946
3	A₁	1431	1378
4	A₁	924	890
5	A₁	659	635
6	A₁	399	384
7	A₁	304	293
8	A₂	1230	1184
9	A₂	1131	1089
10	A₂	759	731
11	E	3156	3039
11	E	3156	3039
12	E	3065	2952
12	E	3065	2952
13	E	1415	1362
13	E	1414	1362
14	E	1298	1250
14	E	1297	1249
15	E	1216	1171
15	E	1215	1170
16	E	789	760
16	E	789	760
17	E	743	715
17	E	743	715
18	E	664	640
18	E	664	639
19	E	269	259
19	E	268	258
20	E	186	179
20	E	184	177

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.581	0.416
C2	1.369	-0.790	0.416
C3	-1.369	-0.790	0.416
S4	1.555	0.898	-0.261
S5	0.000	-1.795	-0.261
S6	-1.555	0.898	-0.261
H7	0.000	1.469	1.504
H8	1.272	-0.735	1.504
H9	-1.272	-0.735	1.504
H10	0.000	2.645	0.177
H11	2.290	-1.322	0.177
H12	-2.290	-1.322	0.177

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7380	2.7380	1.8282	3.4433	1.8282	1.0940	2.8572	2.8572	1.0902	3.7054	3.7054
C2	2.7380		2.7380	1.8282	1.8282	3.4433	2.8572	1.0940	2.8572	3.7054	1.0902	3.7054
C3	2.7380	2.7380		3.4433	1.8282	1.8282	2.8572	2.8572	1.0940	3.7054	3.7054	1.0902
S4	1.8282	1.8282	3.4433		3.1097	3.1097	2.4206	2.4206	3.7110	2.3792	2.3792	4.4614
S5	3.4433	1.8282	1.8282	3.1097		3.1097	3.7110	2.4206	2.4206	4.4614	2.3792	2.3792
S6	1.8282	3.4433	1.8282	3.1097	3.1097		2.4206	3.7110	2.4206	2.3792	4.4614	2.3792
H7	1.0940	2.8572	2.8572	2.4206	3.7110	2.4206		2.5445	2.5445	1.7729	3.8468	3.8468
H8	2.8572	1.0940	2.8572	2.4206	2.4206	3.7110	2.5445		2.5445	3.8468	1.7729	3.8468
H9	2.8572	2.8572	1.0940	3.7110	2.4206	2.4206	2.5445	2.5445		3.8468	3.8468	1.7729
H10	1.0902	3.7054	3.7054	2.3792	4.4614	2.3792	1.7729	3.8468	3.8468		4.5804	4.5804
H11	3.7054	1.0902	3.7054	2.3792	2.3792	4.4614	3.8468	1.7729	3.8468	4.5804		4.5804
H12	3.7054	3.7054	1.0902	4.4614	2.3792	2.3792	3.8468	3.8468	1.7729	4.5804	4.5804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	96.980	C1	S6	C3	96.980
C2	S5	C3	96.980	S4	C1	S6	116.529
S4	C1	H7	109.276	S4	C1	H10	106.466
S4	C2	S5	116.529	S4	C2	H8	109.276
S4	C2	H11	106.466	S5	C2	H8	109.276
S5	C2	H11	106.466	S5	C3	S6	116.529
S5	C3	H9	109.276	S5	C3	H12	106.466
S6	C1	H7	109.276	S6	C1	H10	106.466
S6	C3	H9	109.276	S6	C3	H12	106.466
H7	C1	H10	108.520	H8	C2	H11	108.520
H9	C3	H12	108.520

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

using model chemistry: MP4/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: MP4/TZVP

States and conformations

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