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	hartrees
Energy at 0K	-1304.088009
Energy at 298.15K	-1304.094265
HF Energy	-1303.435431
Nuclear repulsion energy	430.130115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3197	3042	2.73
2	A	3196	3041	0.03
3	A	3188	3033	1.87
4	A	3187	3032	3.05
5	A	3097	2946	3.75
6	A	3096	2946	5.48
7	A	1567	1490	1.68
8	A	1564	1488	33.14
9	A	1555	1479	24.17
10	A	1555	1479	0.85
11	A	1463	1391	0.48
12	A	1456	1385	0.08
13	A	1133	1078	118.58
14	A	1059	1007	9.31
15	A	1050	998	14.48
16	A	1049	998	26.12
17	A	1048	997	0.00
18	A	832	792	171.54
19	A	730	694	2.25
20	A	715	680	1.02
21	A	513	488	2.97
22	A	498	473	1.18
23	A	363	345	6.00
24	A	317	301	2.10
25	A	259	247	5.62
26	A	197	188	1.12
27	A	192	183	0.01
28	A	189	180	0.00
29	A	90	86	5.75
30	A	58	55	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.020	-0.000
S2	0.000	1.663	0.000
S3	1.437	-1.008	0.000
S4	-1.437	-1.008	-0.000
C5	2.767	0.231	-0.000
C6	-2.767	0.231	0.000
H7	2.703	0.858	0.891
H8	-2.704	0.857	0.892
H9	3.704	-0.334	-0.000
H10	2.703	0.857	-0.892
H11	-2.704	0.858	-0.891
H12	-3.704	-0.334	-0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6428	1.7675	1.7674	2.7749	2.7748	2.9673	2.9674	3.7208	2.9670	2.9673	3.7208
S2	1.6428		3.0334	3.0334	3.1152	3.1156	2.9579	2.9588	4.2077	2.9581	2.9583	4.2081
S3	1.7675	3.0334		2.8747	1.8176	4.3831	2.4249	4.6285	2.3648	2.4248	4.6287	5.1854
S4	1.7674	3.0334	2.8747		4.3830	1.8175	4.6286	2.4249	5.1853	4.6281	2.4248	2.3648
C5	2.7749	3.1152	1.8176	4.3830		5.5336	1.0916	5.5779	1.0942	1.0916	5.5777	6.4954
C6	2.7748	3.1156	4.3831	1.8175	5.5336		5.5776	1.0916	6.4954	5.5775	1.0916	1.0942
H7	2.9673	2.9579	2.4249	4.6286	1.0916	5.5776		5.4069	1.7933	1.7830	5.6930	6.5779
H8	2.9674	2.9588	4.6285	2.4249	5.5779	1.0916	5.4069		6.5780	5.6933	1.7831	1.7933
H9	3.7208	4.2077	2.3648	5.1853	1.0942	6.4954	1.7933	6.5780		1.7934	6.5780	7.4079
H10	2.9670	2.9581	2.4248	4.6281	1.0916	5.5775	1.7830	5.6933	1.7934		5.4066	6.5776
H11	2.9673	2.9583	4.6287	2.4248	5.5777	1.0916	5.6930	1.7831	6.5780	5.4066		1.7933
H12	3.7208	4.2081	5.1854	2.3648	6.4954	1.0942	6.5779	1.7933	7.4079	6.5776	1.7933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	101.419	C1	S4	C6	101.429
S2	C1	S3	125.581	S2	C1	S4	125.589
S3	C1	S4	108.830	S3	C5	H7	110.424
S3	C5	H9	105.928	S3	C5	H10	110.416
S4	C6	H8	110.430	S4	C6	H11	110.430
S4	C6	H12	105.930	H7	C5	H9	110.254
H7	C5	H10	109.511	H8	C6	H11	109.509
H8	C6	H12	110.249	H9	C5	H10	110.263
H11	C6	H12	110.248

All results from a given calculation for C₃H₆S₃ (Carbonotrithioic acid, dimethyl ester)

using model chemistry: MP2/3-21G*

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 (Carbonotrithioic acid, dimethyl ester)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for C₃H₆S₃ (Carbonotrithioic acid, dimethyl ester)