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	hartrees
Energy at 0K	-1296.680957
Energy at 298.15K	-1296.685911
Nuclear repulsion energy	416.661745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3438	3068	3.25
2	A	3430	3061	0.12
3	A	3321	2963	4.17
4	A	3320	2963	1.75
5	A	1665	1486	0.91
6	A	1654	1476	0.42
7	A	1435	1281	13.92
8	A	1413	1261	1.43
9	A	1297	1157	152.91
10	A	1273	1136	45.10
11	A	1224	1092	0.08
12	A	1084	967	0.75
13	A	1042	930	1.28
14	A	946	844	33.56
15	A	908	810	42.37
16	A	803	716	2.62
17	A	783	698	1.84
18	A	524	468	8.22
19	A	505	451	2.37
20	A	464	414	0.12
21	A	411	367	0.17
22	A	274	244	0.02
23	A	187	167	0.45
24	A	96	86	0.14

Atom	x (Å)	y (Å)	z (Å)
H1	2.702	-1.321	-0.222
H2	2.702	1.321	0.224
S3	-2.332	0.000	0.000
C4	-0.709	0.000	-0.000
S5	0.283	1.511	0.077
S6	0.282	-1.510	-0.078
H7	2.109	0.735	-1.355
C8	1.909	0.732	-0.268
H9	2.108	-0.735	1.356
C10	1.908	-0.732	0.269

	H1	H2	S3	C4	S5	S6	H7	C8	H9	C10
H1		2.6790	5.2086	3.6644	3.7362	2.4308	2.4205	2.2007	1.7849	1.1035
H2	2.6790		5.2085	3.6643	2.4309	3.7361	1.7849	1.1035	2.4205	2.2007
S3	5.2086	5.2085		1.6226	3.0203	3.0203	4.7012	4.3114	4.7002	4.3112
C4	3.6644	3.6643	1.6226		1.8086	1.8086	3.2125	2.7313	3.2119	2.7311
S5	3.7362	2.4309	3.0203	1.8086		3.0250	2.4476	1.8359	3.1638	2.7762
S6	2.4308	3.7361	3.0203	1.8086	3.0250		3.1637	2.7762	2.4476	1.8359
H7	2.4205	1.7849	4.7012	3.2125	2.4476	3.1637		1.1053	3.0834	2.1970
C8	2.2007	1.1035	4.3114	2.7313	1.8359	2.7762	1.1053		2.1970	1.5585
H9	1.7849	2.4205	4.7002	3.2119	3.1638	2.4476	3.0834	2.1970		1.1053
C10	1.1035	2.2007	4.3112	2.7311	2.7762	1.8359	2.1970	1.5585	1.1053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C10	S6	109.028	H1	C10	C8	110.362
H1	C10	H9	107.826	H2	C8	S5	109.028
H2	C8	H7	107.826	H2	C8	C10	110.362
S3	C4	S5	123.251	S3	C4	S6	123.250
C4	S5	C8	97.078	C4	S6	C10	97.073
S5	C4	S6	113.499	S5	C8	H7	110.161
S5	C8	C10	109.478	S6	C10	C8	109.475
S6	C10	H9	110.162	H7	C8	C10	109.963
C8	C10	H9	109.965

All results from a given calculation for C₃H₄S₃ (1,3-Dithiolane-2-thione)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	H	0.087
2	H	0.087
3	S	0.030
4	C	-0.312
5	S	0.193
6	S	0.193
7	H	0.081
8	C	-0.220
9	H	0.081
10	C	-0.220

	x	y	z
x	10.735	0.000	-0.000
y	0.000	5.649	0.175
z	-0.000	0.175	2.558

<r²>	280.099
(<r²>)^1/2	16.736

All results from a given calculation for C3H4S3 (1,3-Dithiolane-2-thione)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for C₃H₄S₃ (1,3-Dithiolane-2-thione)