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	hartrees
Energy at 0K	-1310.620526
Energy at 298.15K	-1310.628316
HF Energy	-1309.673382
Nuclear repulsion energy	448.136356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3141	3012
2	A₁	3049	2924
3	A₁	1425	1366
4	A₁	911	874
5	A₁	653	626
6	A₁	396	380
7	A₁	297	285
8	A₂	1179	1131
9	A₂	1105	1059
10	A₂	757	726
11	E	3142	3013
11	E	3142	3013
12	E	3054	2929
12	E	3054	2929
13	E	1410	1352
13	E	1409	1352
14	E	1239	1189
14	E	1239	1188
15	E	1186	1138
15	E	1186	1137
16	E	786	754
16	E	786	754
17	E	744	713
17	E	744	713
18	E	662	635
18	E	662	635
19	E	277	266
19	E	277	265
20	E	182	174
20	E	180	172

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.590	0.415
C2	1.377	-0.795	0.415
C3	-1.377	-0.795	0.415
S4	1.556	0.898	-0.261
S5	0.000	-1.796	-0.261
S6	-1.556	0.898	-0.261
H7	0.000	1.489	1.517
H8	1.290	-0.745	1.517
H9	-1.290	-0.745	1.517
H10	0.000	2.664	0.165
H11	2.307	-1.332	0.165
H12	-2.307	-1.332	0.165

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7532	2.7532	1.8314	3.4525	1.8314	1.1071	2.8858	2.8858	1.1036	3.7315	3.7315
C2	2.7532		2.7532	1.8314	1.8314	3.4525	2.8858	1.1071	2.8858	3.7315	1.1036	3.7315
C3	2.7532	2.7532		3.4525	1.8314	1.8314	2.8858	2.8858	1.1071	3.7315	3.7315	1.1036
S4	1.8314	1.8314	3.4525		3.1112	3.1112	2.4352	2.4352	3.7357	2.3918	2.3918	4.4810
S5	3.4525	1.8314	1.8314	3.1112		3.1112	3.7357	2.4352	2.4352	4.4810	2.3918	2.3918
S6	1.8314	3.4525	1.8314	3.1112	3.1112		2.4352	3.7357	2.4352	2.3918	4.4810	2.3918
H7	1.1071	2.8858	2.8858	2.4352	3.7357	2.4352		2.5796	2.5796	1.7917	3.8878	3.8878
H8	2.8858	1.1071	2.8858	2.4352	2.4352	3.7357	2.5796		2.5796	3.8878	1.7917	3.8878
H9	2.8858	2.8858	1.1071	3.7357	2.4352	2.4352	2.5796	2.5796		3.8878	3.8878	1.7917
H10	1.1036	3.7315	3.7315	2.3918	4.4810	2.3918	1.7917	3.8878	3.8878		4.6150	4.6150
H11	3.7315	1.1036	3.7315	2.3918	2.3918	4.4810	3.8878	1.7917	3.8878	4.6150		4.6150
H12	3.7315	3.7315	1.1036	4.4810	2.3918	2.3918	3.8878	3.8878	1.7917	4.6150	4.6150

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.471	C1	S6	C3	97.471
C2	S5	C3	97.471	S4	C1	S6	116.297
S4	C1	H7	109.452	S4	C1	H10	106.513
S4	C2	S5	116.297	S4	C2	H8	109.452
S4	C2	H11	106.513	S5	C2	H8	109.452
S5	C2	H11	106.513	S5	C3	S6	116.297
S5	C3	H9	109.452	S5	C3	H12	106.513
S6	C1	H7	109.452	S6	C1	H10	106.513
S6	C3	H9	109.452	S6	C3	H12	106.513
H7	C1	H10	108.283	H8	C2	H11	108.283
H9	C3	H12	108.283

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

using model chemistry: QCISD(T)=FULL/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(T)=FULL/cc-pVDZ

States and conformations

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