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	hartrees
Energy at 0K	-1303.623837
Energy at 298.15K	-1303.631231
HF Energy	-1303.106527
Nuclear repulsion energy	432.791943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3167	3072
2	A₁	3080	2987
3	A₁	1498	1453
4	A₁	909	882
5	A₁	578	561
6	A₁	369	358
7	A₁	263	255
8	A₂	1219	1182
9	A₂	1135	1101
10	A₂	665	645
11	E	3168	3073
11	E	3168	3073
12	E	3085	2992
12	E	3085	2992
13	E	1482	1437
13	E	1482	1437
14	E	1269	1231
14	E	1269	1231
15	E	1205	1168
15	E	1205	1168
16	E	802	778
16	E	802	778
17	E	663	643
17	E	663	643
18	E	586	568
18	E	586	568
19	E	258	250
19	E	258	250
20	E	163	158
20	E	162	157

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.652	0.448
C2	1.431	-0.826	0.448
C3	-1.431	-0.826	0.448
S4	1.613	0.931	-0.276
S5	0.000	-1.863	-0.276
S6	-1.613	0.931	-0.276
H7	0.000	1.513	1.534
H8	1.310	-0.756	1.534
H9	-1.310	-0.756	1.534
H10	0.000	2.716	0.200
H11	2.352	-1.358	0.200
H12	-2.352	-1.358	0.200

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.8611	2.8611	1.9092	3.5882	1.9092	1.0954	2.9489	2.9489	1.0931	3.8283	3.8283
C2	2.8611		2.8611	1.9092	1.9092	3.5882	2.9489	1.0954	2.9489	3.8283	1.0931	3.8283
C3	2.8611	2.8611		3.5882	1.9092	1.9092	2.9489	2.9489	1.0954	3.8283	3.8283	1.0931
S4	1.9092	1.9092	3.5882		3.2260	3.2260	2.4935	2.4935	3.8301	2.4525	2.4525	4.6036
S5	3.5882	1.9092	1.9092	3.2260		3.2260	3.8301	2.4935	2.4935	4.6036	2.4525	2.4525
S6	1.9092	3.5882	1.9092	3.2260	3.2260		2.4935	3.8301	2.4935	2.4525	4.6036	2.4525
H7	1.0954	2.9489	2.9489	2.4935	3.8301	2.4935		2.6201	2.6201	1.7972	3.9443	3.9443
H8	2.9489	1.0954	2.9489	2.4935	2.4935	3.8301	2.6201		2.6201	3.9443	1.7972	3.9443
H9	2.9489	2.9489	1.0954	3.8301	2.4935	2.4935	2.6201	2.6201		3.9443	3.9443	1.7972
H10	1.0931	3.8283	3.8283	2.4525	4.6036	2.4525	1.7972	3.9443	3.9443		4.7049	4.7049
H11	3.8283	1.0931	3.8283	2.4525	2.4525	4.6036	3.9443	1.7972	3.9443	4.7049		4.7049
H12	3.8283	3.8283	1.0931	4.6036	2.4525	2.4525	3.9443	3.9443	1.7972	4.7049	4.7049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	97.058	C1	S6	C3	97.058
C2	S5	C3	97.058	S4	C1	S6	115.315
S4	C1	H7	109.156	S4	C1	H10	106.351
S4	C2	S5	115.314	S4	C2	H8	109.156
S4	C2	H11	106.351	S5	C2	H8	109.156
S5	C2	H11	106.351	S5	C3	S6	115.314
S5	C3	H9	109.156	S5	C3	H12	106.351
S6	C1	H7	109.156	S6	C1	H10	106.351
S6	C3	H9	109.156	S6	C3	H12	106.351
H7	C1	H10	110.417	H8	C2	H11	110.417
H9	C3	H12	110.417

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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