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	hartrees
Energy at 0K	-1312.092996
Energy at 298.15K	-1312.100868
HF Energy	-1311.701050
Nuclear repulsion energy	450.762134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	3155	2.64
2	A₁	3072	3072	51.63
3	A₁	1469	1469	15.70
4	A₁	941	941	24.09
5	A₁	662	662	2.41
6	A₁	405	405	0.19
7	A₁	298	298	1.40
8	A₂	1242	1242	0.00
9	A₂	1152	1152	0.00
10	A₂	746	746	0.00
11	E	3156	3156	0.16
11	E	3156	3156	0.16
12	E	3077	3077	4.71
12	E	3077	3077	4.71
13	E	1452	1452	6.17
13	E	1452	1452	6.17
14	E	1300	1300	18.59
14	E	1300	1300	18.59
15	E	1240	1240	17.86
15	E	1240	1240	17.87
16	E	812	812	0.22
16	E	812	812	0.22
17	E	740	740	35.75
17	E	740	740	35.75
18	E	668	668	2.87
18	E	668	668	2.87
19	E	284	284	1.34
19	E	284	284	1.34
20	E	185	185	0.00
20	E	185	185	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.587	0.406
C2	1.374	-0.794	0.406
C3	-1.374	-0.794	0.406
S4	1.547	0.893	-0.254
S5	0.000	-1.787	-0.254
S6	-1.547	0.893	-0.254
H7	0.000	1.514	1.495
H8	1.311	-0.757	1.495
H9	-1.311	-0.757	1.495
H10	0.000	2.643	0.141
H11	2.289	-1.322	0.141
H12	-2.289	-1.322	0.141

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7489	2.7489	1.8197	3.4379	1.8197	1.0917	2.8983	2.8983	1.0887	3.7108	3.7108
C2	2.7489		2.7489	1.8197	1.8197	3.4379	2.8983	1.0917	2.8983	3.7108	1.0887	3.7108
C3	2.7489	2.7489		3.4379	1.8197	1.8197	2.8983	2.8983	1.0917	3.7108	3.7108	1.0887
S4	1.8197	1.8197	3.4379		3.0949	3.0949	2.4166	2.4166	3.7357	2.3692	2.3692	4.4477
S5	3.4379	1.8197	1.8197	3.0949		3.0949	3.7357	2.4166	2.4166	4.4477	2.3692	2.3692
S6	1.8197	3.4379	1.8197	3.0949	3.0949		2.4166	3.7357	2.4166	2.3692	4.4477	2.3692
H7	1.0917	2.8983	2.8983	2.4166	3.7357	2.4166		2.6223	2.6223	1.7626	3.8875	3.8875
H8	2.8983	1.0917	2.8983	2.4166	2.4166	3.7357	2.6223		2.6223	3.8875	1.7626	3.8875
H9	2.8983	2.8983	1.0917	3.7357	2.4166	2.4166	2.6223	2.6223		3.8875	3.8875	1.7626
H10	1.0887	3.7108	3.7108	2.3692	4.4477	2.3692	1.7626	3.8875	3.8875		4.5782	4.5782
H11	3.7108	1.0887	3.7108	2.3692	2.3692	4.4477	3.8875	1.7626	3.8875	4.5782		4.5782
H12	3.7108	3.7108	1.0887	4.4477	2.3692	2.3692	3.8875	3.8875	1.7626	4.5782	4.5782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	98.101	C1	S6	C3	98.101
C2	S5	C3	98.101	S4	C1	S6	116.505
S4	C1	H7	109.658	S4	C1	H10	106.365
S4	C2	S5	116.505	S4	C2	H8	109.658
S4	C2	H11	106.365	S5	C2	H8	109.658
S5	C2	H11	106.365	S5	C3	S6	116.505
S5	C3	H9	109.658	S5	C3	H12	106.365
S6	C1	H7	109.658	S6	C1	H10	106.365
S6	C3	H9	109.658	S6	C3	H12	106.365
H7	C1	H10	107.879	H8	C2	H11	107.879
H9	C3	H12	107.879

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-311G*

States and conformations

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