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	hartrees
Energy at 0K	-1303.607299
Energy at 298.15K	-1303.614794
HF Energy	-1303.107766
Nuclear repulsion energy	434.241435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3182	3094	1.16
2	A₁	3102	3016	25.64
3	A₁	1508	1467	16.80
4	A₁	920	895	17.72
5	A₁	591	574	5.43
6	A₁	378	367	0.13
7	A₁	266	258	2.51
8	A₂	1236	1202	0.00
9	A₂	1147	1115	0.00
10	A₂	695	675	0.00
11	E	3183	3095	0.13
11	E	3183	3095	0.13
12	E	3106	3020	2.02
12	E	3106	3020	2.02
13	E	1492	1450	4.66
13	E	1492	1450	4.66
14	E	1283	1248	11.26
14	E	1283	1248	11.26
15	E	1217	1183	19.87
15	E	1217	1183	19.87
16	E	810	788	0.15
16	E	810	788	0.15
17	E	684	665	25.96
17	E	684	665	25.95
18	E	599	582	0.28
18	E	599	582	0.28
19	E	263	256	0.99
19	E	263	256	0.99
20	E	162	158	0.01
20	E	162	158	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.649	0.443
C2	1.428	-0.824	0.443
C3	-1.428	-0.824	0.443
S4	1.607	0.928	-0.274
S5	0.000	-1.856	-0.274
S6	-1.607	0.928	-0.274
H7	0.000	1.521	1.530
H8	1.318	-0.761	1.530
H9	-1.318	-0.761	1.530
H10	0.000	2.711	0.190
H11	2.348	-1.355	0.190
H12	-2.348	-1.355	0.190

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.8554	2.8554	1.9016	3.5767	1.9016	1.0936	2.9530	2.9530	1.0919	3.8208	3.8208
C2	2.8554		2.8554	1.9016	1.9016	3.5767	2.9530	1.0936	2.9530	3.8208	1.0919	3.8208
C3	2.8554	2.8554		3.5767	1.9016	1.9016	2.9530	2.9530	1.0936	3.8208	3.8208	1.0919
S4	1.9016	1.9016	3.5767		3.2139	3.2139	2.4873	2.4873	3.8283	2.4446	2.4446	4.5897
S5	3.5767	1.9016	1.9016	3.2139		3.2139	3.8283	2.4873	2.4873	4.5897	2.4446	2.4446
S6	1.9016	3.5767	1.9016	3.2139	3.2139		2.4873	3.8283	2.4873	2.4446	4.5897	2.4446
H7	1.0936	2.9530	2.9530	2.4873	3.8283	2.4873		2.6350	2.6350	1.7913	3.9472	3.9472
H8	2.9530	1.0936	2.9530	2.4873	2.4873	3.8283	2.6350		2.6350	3.9472	1.7913	3.9472
H9	2.9530	2.9530	1.0936	3.8283	2.4873	2.4873	2.6350	2.6350		3.9472	3.9472	1.7913
H10	1.0919	3.8208	3.8208	2.4446	4.5897	2.4446	1.7913	3.9472	3.9472		4.6951	4.6951
H11	3.8208	1.0919	3.8208	2.4446	2.4446	4.5897	3.9472	1.7913	3.9472	4.6951		4.6951
H12	3.8208	3.8208	1.0919	4.5897	2.4446	2.4446	3.9472	3.9472	1.7913	4.6951	4.6951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.315	C1	S6	C3	97.315
C2	S5	C3	97.315	S4	C1	S6	115.352
S4	C1	H7	109.299	S4	C1	H10	106.332
S4	C2	S5	115.352	S4	C2	H8	109.299
S4	C2	H11	106.332	S5	C2	H8	109.299
S5	C2	H11	106.332	S5	C3	S6	115.352
S5	C3	H9	109.299	S5	C3	H12	106.332
S6	C1	H7	109.299	S6	C1	H10	106.332
S6	C3	H9	109.299	S6	C3	H12	106.332
H7	C1	H10	110.094	H8	C2	H11	110.094
H9	C3	H12	110.094

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

using model chemistry: CCD/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: CCD/3-21G

States and conformations

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