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	hartrees
Energy at 0K	-1310.858040
Energy at 298.15K	-1310.865968
HF Energy	-1309.762739
Nuclear repulsion energy	452.571126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3187	3010	1.23
2	A₁	3101	2930	30.47
3	A₁	1460	1379	10.63
4	A₁	934	883	10.39
5	A₁	672	635	3.24
6	A₁	403	381	0.02
7	A₁	295	279	1.96
8	A₂	1214	1147	0.00
9	A₂	1132	1070	0.00
10	A₂	795	751	0.00
11	E	3188	3011	0.00
11	E	3188	3011	0.00
12	E	3107	2936	3.24
12	E	3107	2936	3.24
13	E	1446	1366	2.44
13	E	1446	1366	2.44
14	E	1268	1197	12.59
14	E	1268	1197	12.59
15	E	1216	1148	13.26
15	E	1216	1148	13.26
16	E	808	763	1.30
16	E	808	763	1.30
17	E	769	727	20.72
17	E	769	727	20.72
18	E	684	646	0.76
18	E	684	646	0.76
19	E	283	268	1.22
19	E	283	268	1.23
20	E	180	170	0.00
20	E	180	170	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.585	0.405
C2	1.373	-0.792	0.405
C3	-1.373	-0.792	0.405
S4	1.539	0.889	-0.254
S5	0.000	-1.777	-0.254
S6	-1.539	0.889	-0.254
H7	0.000	1.506	1.490
H8	1.304	-0.753	1.490
H9	-1.304	-0.753	1.490
H10	0.000	2.636	0.138
H11	2.283	-1.318	0.138
H12	-2.283	-1.318	0.138

	C1	C2	C3	S4	S5	S6	H7	H8	H9	H10	H11	H12
C1		2.7451	2.7451	1.8132	3.4260	1.8132	1.0881	2.8888	2.8888	1.0850	3.7031	3.7031
C2	2.7451		2.7451	1.8132	1.8132	3.4260	2.8888	1.0881	2.8888	3.7031	1.0850	3.7031
C3	2.7451	2.7451		3.4260	1.8132	1.8132	2.8888	2.8888	1.0881	3.7031	3.7031	1.0850
S4	1.8132	1.8132	3.4260		3.0781	3.0781	2.4067	2.4067	3.7179	2.3615	2.3615	4.4309
S5	3.4260	1.8132	1.8132	3.0781		3.0781	3.7179	2.4067	2.4067	4.4309	2.3615	2.3615
S6	1.8132	3.4260	1.8132	3.0781	3.0781		2.4067	3.7179	2.4067	2.3615	4.4309	2.3615
H7	1.0881	2.8888	2.8888	2.4067	3.7179	2.4067		2.6088	2.6088	1.7628	3.8756	3.8756
H8	2.8888	1.0881	2.8888	2.4067	2.4067	3.7179	2.6088		2.6088	3.8756	1.7628	3.8756
H9	2.8888	2.8888	1.0881	3.7179	2.4067	2.4067	2.6088	2.6088		3.8756	3.8756	1.7628
H10	1.0850	3.7031	3.7031	2.3615	4.4309	2.3615	1.7628	3.8756	3.8756		4.5664	4.5664
H11	3.7031	1.0850	3.7031	2.3615	2.3615	4.4309	3.8756	1.7628	3.8756	4.5664		4.5664
H12	3.7031	3.7031	1.0850	4.4309	2.3615	2.3615	3.8756	3.8756	1.7628	4.5664	4.5664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S4	C2	98.397	C1	S6	C3	98.397
C2	S5	C3	98.397	S4	C1	S6	116.163
S4	C1	H7	109.553	S4	C1	H10	106.414
S4	C2	S5	116.162	S4	C2	H8	109.553
S4	C2	H11	106.414	S5	C2	H8	109.553
S5	C2	H11	106.414	S5	C3	S6	116.162
S5	C3	H9	109.553	S5	C3	H12	106.414
S6	C1	H7	109.553	S6	C1	H10	106.414
S6	C3	H9	109.553	S6	C3	H12	106.414
H7	C1	H10	108.421	H8	C2	H11	108.421
H9	C3	H12	108.421

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

using model chemistry: MP3/cc-pVTZ

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: MP3/cc-pVTZ

States and conformations

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