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	hartrees
Energy at 0K	-1310.562463
Energy at 298.15K	-1310.570328
HF Energy	-1309.673852
Nuclear repulsion energy	448.532604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	3027	3.06
2	A₁	3068	2944	46.09
3	A₁	1438	1379	10.61
4	A₁	923	886	10.93
5	A₁	662	635	4.27
6	A₁	402	386	0.04
7	A₁	297	285	1.96
8	A₂	1197	1149	0.00
9	A₂	1117	1072	0.00
10	A₂	778	747	0.00
11	E	3156	3028	0.43
11	E	3156	3028	0.43
12	E	3072	2948	7.01
12	E	3072	2948	7.01
13	E	1423	1365	1.59
13	E	1423	1365	1.59
14	E	1256	1205	17.96
14	E	1256	1205	17.96
15	E	1200	1151	13.45
15	E	1200	1151	13.45
16	E	798	766	1.20
16	E	798	766	1.20
17	E	759	728	23.67
17	E	759	728	23.67
18	E	672	645	1.00
18	E	672	645	1.00
19	E	281	270	1.11
19	E	281	270	1.11
20	E	181	174	0.00
20	E	181	174	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.592	0.412
C2	1.378	-0.796	0.412
C3	-1.378	-0.796	0.412
S4	1.553	0.897	-0.259
S5	0.000	-1.794	-0.259
S6	-1.553	0.897	-0.259
H7	0.000	1.503	1.514
H8	1.301	-0.751	1.514
H9	-1.301	-0.751	1.514
H10	0.000	2.664	0.154
H11	2.307	-1.332	0.154
H12	-2.307	-1.332	0.154

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7568	2.7568	1.8290	3.4511	1.8290	1.1060	2.8979	2.8979	1.1029	3.7331	3.7331
C2	2.7568		2.7568	1.8290	1.8290	3.4511	2.8979	1.1060	2.8979	3.7331	1.1029	3.7331
C3	2.7568	2.7568		3.4511	1.8290	1.8290	2.8979	2.8979	1.1060	3.7331	3.7331	1.1029
S4	1.8290	1.8290	3.4511		3.1069	3.1069	2.4337	2.4337	3.7428	2.3886	2.3886	4.4767
S5	3.4511	1.8290	1.8290	3.1069		3.1069	3.7428	2.4337	2.4337	4.4767	2.3886	2.3886
S6	1.8290	3.4511	1.8290	3.1069	3.1069		2.4337	3.7428	2.4337	2.3886	4.4767	2.3886
H7	1.1060	2.8979	2.8979	2.4337	3.7428	2.4337		2.6025	2.6025	1.7887	3.8996	3.8996
H8	2.8979	1.1060	2.8979	2.4337	2.4337	3.7428	2.6025		2.6025	3.8996	1.7887	3.8996
H9	2.8979	2.8979	1.1060	3.7428	2.4337	2.4337	2.6025	2.6025		3.8996	3.8996	1.7887
H10	1.1029	3.7331	3.7331	2.3886	4.4767	2.3886	1.7887	3.8996	3.8996		4.6140	4.6140
H11	3.7331	1.1029	3.7331	2.3886	2.3886	4.4767	3.8996	1.7887	3.8996	4.6140		4.6140
H12	3.7331	3.7331	1.1029	4.4767	2.3886	2.3886	3.8996	3.8996	1.7887	4.6140	4.6140

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.809	C1	S6	C3	97.809
C2	S5	C3	97.809	S4	C1	S6	116.280
S4	C1	H7	109.557	S4	C1	H10	106.472
S4	C2	S5	116.280	S4	C2	H8	109.557
S4	C2	H11	106.472	S5	C2	H8	109.557
S5	C2	H11	106.472	S5	C3	S6	116.280
S5	C3	H9	109.557	S5	C3	H12	106.472
S6	C1	H7	109.557	S6	C1	H10	106.472
S6	C3	H9	109.557	S6	C3	H12	106.472
H7	C1	H10	108.148	H8	C2	H11	108.148
H9	C3	H12	108.148

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

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

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