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	hartrees
Energy at 0K	-1310.975186
Energy at 298.15K	-1310.983220
HF Energy	-1309.710883
Nuclear repulsion energy	454.080357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3009	2.24
2	A₁	3087	2928	44.29
3	A₁	1429	1355	14.24
4	A₁	936	888	22.39
5	A₁	689	653	2.15
6	A₁	412	391	0.08
7	A₁	314	298	1.04
8	A₂	1249	1185	0.00
9	A₂	1156	1096	0.00
10	A₂	798	757	0.00
11	E	3174	3011	0.07
11	E	3174	3011	0.07
12	E	3093	2934	3.09
12	E	3093	2934	3.09
13	E	1412	1339	4.72
13	E	1412	1339	4.72
14	E	1308	1240	21.93
14	E	1308	1240	21.93
15	E	1243	1179	13.18
15	E	1243	1179	13.18
16	E	807	766	6.17
16	E	807	766	6.17
17	E	775	735	21.96
17	E	775	735	21.96
18	E	696	661	1.25
18	E	696	661	1.25
19	E	286	271	0.97
19	E	286	271	0.97
20	E	194	184	0.01
20	E	194	184	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.563	0.409
C2	1.354	-0.782	0.409
C3	-1.354	-0.782	0.409
S4	1.537	0.887	-0.258
S5	0.000	-1.775	-0.258
S6	-1.537	0.887	-0.258
H7	0.000	1.467	1.499
H8	1.271	-0.734	1.499
H9	-1.271	-0.734	1.499
H10	0.000	2.629	0.170
H11	2.277	-1.314	0.170
H12	-2.277	-1.314	0.170

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7078	2.7078	1.8066	3.4040	1.8066	1.0947	2.8425	2.8425	1.0917	3.6770	3.6770
C2	2.7078		2.7078	1.8066	1.8066	3.4040	2.8425	1.0947	2.8425	3.6770	1.0917	3.6770
C3	2.7078	2.7078		3.4040	1.8066	1.8066	2.8425	2.8425	1.0947	3.6770	3.6770	1.0917
S4	1.8066	1.8066	3.4040		3.0739	3.0739	2.4054	2.4054	3.6875	2.3618	2.3618	4.4242
S5	3.4040	1.8066	1.8066	3.0739		3.0739	3.6875	2.4054	2.4054	4.4242	2.3618	2.3618
S6	1.8066	3.4040	1.8066	3.0739	3.0739		2.4054	3.6875	2.4054	2.3618	4.4242	2.3618
H7	1.0947	2.8425	2.8425	2.4054	3.6875	2.4054		2.5412	2.5412	1.7650	3.8322	3.8322
H8	2.8425	1.0947	2.8425	2.4054	2.4054	3.6875	2.5412		2.5412	3.8322	1.7650	3.8322
H9	2.8425	2.8425	1.0947	3.6875	2.4054	2.4054	2.5412	2.5412		3.8322	3.8322	1.7650
H10	1.0917	3.6770	3.6770	2.3618	4.4242	2.3618	1.7650	3.8322	3.8322		4.5531	4.5531
H11	3.6770	1.0917	3.6770	2.3618	2.3618	4.4242	3.8322	1.7650	3.8322	4.5531		4.5531
H12	3.6770	3.6770	1.0917	4.4242	2.3618	2.3618	3.8322	3.8322	1.7650	4.5531	4.5531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.082	C1	S6	C3	97.082
C2	S5	C3	97.082	S4	C1	S6	116.590
S4	C1	H7	109.557	S4	C1	H10	106.531
S4	C2	S5	116.590	S4	C2	H8	109.557
S4	C2	H11	106.531	S5	C2	H8	109.557
S5	C2	H11	106.531	S5	C3	S6	116.590
S5	C3	H9	109.557	S5	C3	H12	106.531
S6	C1	H7	109.557	S6	C1	H10	106.531
S6	C3	H9	109.557	S6	C3	H12	106.531
H7	C1	H10	107.656	H8	C2	H11	107.656
H9	C3	H12	107.656

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

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

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