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	hartrees
Energy at 0K	-1304.145079
Energy at 298.15K	-1304.152967
HF Energy	-1303.434410
Nuclear repulsion energy	448.636647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3106	2985	1.96
2	A₁	3039	2921	33.60
3	A₁	1520	1461	18.41
4	A₁	963	926	17.80
5	A₁	648	623	4.63
6	A₁	412	396	0.04
7	A₁	301	289	2.38
8	A₂	1276	1226	0.00
9	A₂	1184	1138	0.00
10	A₂	743	714	0.00
11	E	3107	2986	0.08
11	E	3107	2986	0.08
12	E	3043	2925	3.60
12	E	3043	2925	3.60
13	E	1506	1447	6.77
13	E	1506	1447	6.77
14	E	1319	1267	9.45
14	E	1319	1267	9.45
15	E	1262	1213	17.34
15	E	1262	1213	17.34
16	E	842	809	0.16
16	E	842	809	0.16
17	E	730	702	21.18
17	E	730	702	21.18
18	E	655	629	1.78
18	E	655	629	1.78
19	E	289	277	1.14
19	E	289	277	1.14
20	E	183	176	0.00
20	E	183	176	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.595	0.417
C2	1.381	-0.798	0.417
C3	-1.381	-0.798	0.417
S4	1.551	0.895	-0.261
S5	0.000	-1.790	-0.261
S6	-1.551	0.895	-0.261
H7	0.000	1.500	1.512
H8	1.299	-0.750	1.512
H9	-1.299	-0.750	1.512
H10	0.000	2.663	0.164
H11	2.306	-1.331	0.164
H12	-2.306	-1.331	0.164

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7629	2.7629	1.8314	3.4528	1.8314	1.0988	2.8957	2.8957	1.0971	3.7345	3.7345
C2	2.7629		2.7629	1.8314	1.8314	3.4528	2.8957	1.0988	2.8957	3.7345	1.0971	3.7345
C3	2.7629	2.7629		3.4528	1.8314	1.8314	2.8957	2.8957	1.0988	3.7345	3.7345	1.0971
S4	1.8314	1.8314	3.4528		3.1010	3.1010	2.4316	2.4316	3.7375	2.3895	2.3895	4.4735
S5	3.4528	1.8314	1.8314	3.1010		3.1010	3.7375	2.4316	2.4316	4.4735	2.3895	2.3895
S6	1.8314	3.4528	1.8314	3.1010	3.1010		2.4316	3.7375	2.4316	2.3895	4.4735	2.3895
H7	1.0988	2.8957	2.8957	2.4316	3.7375	2.4316		2.5979	2.5979	1.7798	3.8922	3.8922
H8	2.8957	1.0988	2.8957	2.4316	2.4316	3.7375	2.5979		2.5979	3.8922	1.7798	3.8922
H9	2.8957	2.8957	1.0988	3.7375	2.4316	2.4316	2.5979	2.5979		3.8922	3.8922	1.7798
H10	1.0971	3.7345	3.7345	2.3895	4.4735	2.3895	1.7798	3.8922	3.8922		4.6121	4.6121
H11	3.7345	1.0971	3.7345	2.3895	2.3895	4.4735	3.8922	1.7798	3.8922	4.6121		4.6121
H12	3.7345	3.7345	1.0971	4.4735	2.3895	2.3895	3.8922	3.8922	1.7798	4.6121	4.6121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.933	C1	S6	C3	97.933
C2	S5	C3	97.933	S4	C1	S6	115.695
S4	C1	H7	109.619	S4	C1	H10	106.658
S4	C2	S5	115.695	S4	C2	H8	109.619
S4	C2	H11	106.658	S5	C2	H8	109.619
S5	C2	H11	106.658	S5	C3	S6	115.695
S5	C3	H9	109.619	S5	C3	H12	106.658
S6	C1	H7	109.619	S6	C1	H10	106.658
S6	C3	H9	109.619	S6	C3	H12	106.658
H7	C1	H10	108.289	H8	C2	H11	108.289
H9	C3	H12	108.289

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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