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	hartrees
Energy at 0K	-1303.526236
Energy at 298.15K	-1303.533940
HF Energy	-1303.109950
Nuclear repulsion energy	437.613055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3270	3046	0.42
2	A₁	3192	2973	23.40
3	A₁	1549	1443	18.23
4	A₁	955	890	20.44
5	A₁	617	575	6.78
6	A₁	395	368	0.17
7	A₁	271	253	3.07
8	A₂	1274	1187	0.00
9	A₂	1184	1103	0.00
10	A₂	734	684	0.00
11	E	3271	3047	0.82
11	E	3271	3047	0.82
12	E	3194	2975	1.59
12	E	3194	2975	1.59
13	E	1532	1427	5.96
13	E	1532	1427	5.96
14	E	1325	1235	11.96
14	E	1325	1235	11.96
15	E	1257	1171	22.79
15	E	1257	1171	22.79
16	E	838	781	0.08
16	E	838	781	0.08
17	E	720	671	28.13
17	E	720	671	28.13
18	E	627	585	0.26
18	E	627	585	0.26
19	E	274	256	0.94
19	E	274	256	0.94
20	E	165	154	0.00
20	E	165	154	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.642	0.435
C2	1.422	-0.821	0.435
C3	-1.422	-0.821	0.435
S4	1.593	0.920	-0.269
S5	0.000	-1.840	-0.269
S6	-1.593	0.920	-0.269
H7	0.000	1.532	1.516
H8	1.327	-0.766	1.516
H9	-1.327	-0.766	1.516
H10	0.000	2.695	0.172
H11	2.334	-1.347	0.172
H12	-2.334	-1.347	0.172

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.8437	2.8437	1.8853	3.5519	1.8853	1.0865	2.9540	2.9540	1.0850	3.8012	3.8012
C2	2.8437		2.8437	1.8853	1.8853	3.5519	2.9540	1.0865	2.9540	3.8012	1.0850	3.8012
C3	2.8437	2.8437		3.5519	1.8853	1.8853	2.9540	2.9540	1.0865	3.8012	3.8012	1.0850
S4	1.8853	1.8853	3.5519		3.1866	3.1866	2.4692	2.4692	3.8147	2.4253	2.4253	4.5556
S5	3.5519	1.8853	1.8853	3.1866		3.1866	3.8147	2.4692	2.4692	4.5556	2.4253	2.4253
S6	1.8853	3.5519	1.8853	3.1866	3.1866		2.4692	3.8147	2.4692	2.4253	4.5556	2.4253
H7	1.0865	2.9540	2.9540	2.4692	3.8147	2.4692		2.6534	2.6534	1.7768	3.9421	3.9421
H8	2.9540	1.0865	2.9540	2.4692	2.4692	3.8147	2.6534		2.6534	3.9421	1.7768	3.9421
H9	2.9540	2.9540	1.0865	3.8147	2.4692	2.4692	2.6534	2.6534		3.9421	3.9421	1.7768
H10	1.0850	3.8012	3.8012	2.4253	4.5556	2.4253	1.7768	3.9421	3.9421		4.6670	4.6670
H11	3.8012	1.0850	3.8012	2.4253	2.4253	4.5556	3.9421	1.7768	3.9421	4.6670		4.6670
H12	3.8012	3.8012	1.0850	4.5556	2.4253	2.4253	3.9421	3.9421	1.7768	4.6670	4.6670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.905	C1	S6	C3	97.905
C2	S5	C3	97.905	S4	C1	S6	115.365
S4	C1	H7	109.417	S4	C1	H10	106.332
S4	C2	S5	115.365	S4	C2	H8	109.417
S4	C2	H11	106.332	S5	C2	H8	109.417
S5	C2	H11	106.332	S5	C3	S6	115.365
S5	C3	H9	109.417	S5	C3	H12	106.332
S6	C1	H7	109.417	S6	C1	H10	106.332
S6	C3	H9	109.417	S6	C3	H12	106.332
H7	C1	H10	109.815	H8	C2	H11	109.815
H9	C3	H12	109.815

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

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

States and conformations

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