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	hartrees
Energy at 0K	-1295.510311
Energy at 298.15K	-1295.518319
HF Energy	-1295.266029
Nuclear repulsion energy	447.513083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3473	3087	6.47
2	A₁	3341	2970	23.42
3	A₁	1693	1505	1.29
4	A₁	1025	911	8.03
5	A₁	760	675	4.45
6	A₁	453	403	1.34
7	A₁	316	281	1.75
8	A₂	1390	1236	0.00
9	A₂	1303	1159	0.00
10	A₂	950	845	0.00
11	E	3473	3087	0.17
11	E	3473	3087	0.17
12	E	3344	2972	4.82
12	E	3344	2972	4.82
13	E	1690	1502	0.84
13	E	1690	1502	0.84
14	E	1451	1290	26.68
14	E	1451	1290	26.68
15	E	1367	1215	9.50
15	E	1367	1215	9.50
16	E	945	840	3.70
16	E	945	840	3.70
17	E	894	794	4.28
17	E	894	794	4.28
18	E	782	695	0.03
18	E	782	695	0.03
19	E	318	283	0.09
19	E	318	283	0.09
20	E	195	174	0.12
20	E	195	174	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.582	0.411
C2	1.370	-0.791	0.411
C3	-1.370	-0.791	0.411
S4	1.562	0.902	-0.261
S5	0.000	-1.804	-0.261
S6	-1.562	0.902	-0.261
H7	0.000	1.489	1.519
H8	1.290	-0.745	1.519
H9	-1.290	-0.745	1.519
H10	0.000	2.666	0.182
H11	2.309	-1.333	0.182
H12	-2.309	-1.333	0.182

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7409	2.7409	1.8316	3.4523	1.8316	1.1114	2.8819	2.8819	1.1071	3.7256	3.7256
C2	2.7409		2.7409	1.8316	1.8316	3.4523	2.8819	1.1114	2.8819	3.7256	1.1071	3.7256
C3	2.7409	2.7409		3.4523	1.8316	1.8316	2.8819	2.8819	1.1114	3.7256	3.7256	1.1071
S4	1.8316	1.8316	3.4523		3.1244	3.1244	2.4395	2.4395	3.7431	2.3974	2.3974	4.4914
S5	3.4523	1.8316	1.8316	3.1244		3.1244	3.7431	2.4395	2.4395	4.4914	2.3974	2.3974
S6	1.8316	3.4523	1.8316	3.1244	3.1244		2.4395	3.7431	2.4395	2.3974	4.4914	2.3974
H7	1.1114	2.8819	2.8819	2.4395	3.7431	2.4395		2.5796	2.5796	1.7802	3.8832	3.8832
H8	2.8819	1.1114	2.8819	2.4395	2.4395	3.7431	2.5796		2.5796	3.8832	1.7802	3.8832
H9	2.8819	2.8819	1.1114	3.7431	2.4395	2.4395	2.5796	2.5796		3.8832	3.8832	1.7802
H10	1.1071	3.7256	3.7256	2.3974	4.4914	2.3974	1.7802	3.8832	3.8832		4.6171	4.6171
H11	3.7256	1.1071	3.7256	2.3974	2.3974	4.4914	3.8832	1.7802	3.8832	4.6171		4.6171
H12	3.7256	3.7256	1.1071	4.4914	2.3974	2.3974	3.8832	3.8832	1.7802	4.6171	4.6171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	96.872	C1	S6	C3	96.872
C2	S5	C3	96.872	S4	C1	S6	117.058
S4	C1	H7	109.533	S4	C1	H10	106.723
S4	C2	S5	117.058	S4	C2	H8	109.533
S4	C2	H11	106.723	S5	C2	H8	109.533
S5	C2	H11	106.723	S5	C3	S6	117.058
S5	C3	H9	109.533	S5	C3	H12	106.723
S6	C1	H7	109.533	S6	C1	H10	106.723
S6	C3	H9	109.533	S6	C3	H12	106.723
H7	C1	H10	106.730	H8	C2	H11	106.730
H9	C3	H12	106.730

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

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

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