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	hartrees
Energy at 0K	-1302.175834
Energy at 298.15K	-1302.181702
HF Energy	-1302.175834
Nuclear repulsion energy	425.135454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3135	3083	0.11
2	A	3134	3083	0.71
3	A	3125	3074	0.02
4	A	3124	3073	0.00
5	A	3016	2966	0.23
6	A	3015	2966	1.15
7	A	1451	1427	2.65
8	A	1445	1422	57.37
9	A	1443	1419	50.94
10	A	1443	1419	0.00
11	A	1350	1327	3.52
12	A	1342	1320	8.14
13	A	1056	1039	119.07
14	A	979	963	29.61
15	A	978	962	16.64
16	A	977	961	12.11
17	A	967	951	0.00
18	A	815	802	142.85
19	A	687	676	2.14
20	A	677	666	0.77
21	A	480	472	0.48
22	A	464	457	2.57
23	A	336	331	6.10
24	A	303	298	1.31
25	A	252	248	9.97
26	A	190	187	1.24
27	A	129	127	0.00
28	A	129	127	0.28
29	A	94	92	6.56
30	A	76	74	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-0.003	-0.000
S2	0.000	1.668	-0.000
S3	1.466	-1.043	-0.000
S4	-1.466	-1.043	0.000
C5	2.761	0.292	-0.000
C6	-2.761	0.292	0.000
H7	2.633	0.912	0.899
H8	-2.633	0.912	0.900
H9	3.730	-0.229	-0.000
H10	2.633	0.912	-0.900
H11	-2.633	0.912	-0.899
H12	-3.730	-0.229	0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6705	1.7972	1.7972	2.7764	2.7764	2.9288	2.9287	3.7370	2.9287	2.9287	3.7370
S2	1.6705		3.0814	3.0814	3.0849	3.0849	2.8831	2.8831	4.1847	2.8831	2.8831	4.1847
S3	1.7972	3.0814		2.9313	1.8594	4.4320	2.4479	4.6289	2.4063	2.4479	4.6290	5.2592
S4	1.7972	3.0814	2.9313		4.4320	1.8594	4.6290	2.4479	5.2592	4.6290	2.4479	2.4063
C5	2.7764	3.0849	1.8594	4.4320		5.5216	1.1003	5.5032	1.1002	1.1003	5.5032	6.5118
C6	2.7764	3.0849	4.4320	1.8594	5.5216		5.5032	1.1003	6.5118	5.5032	1.1003	1.1002
H7	2.9288	2.8831	2.4479	4.6290	1.1003	5.5032		5.2656	1.8207	1.7991	5.5645	6.5267
H8	2.9287	2.8831	4.6289	2.4479	5.5032	1.1003	5.2656		6.5267	5.5645	1.7991	1.8207
H9	3.7370	4.1847	2.4063	5.2592	1.1002	6.5118	1.8207	6.5267		1.8207	6.5268	7.4603
H10	2.9287	2.8831	2.4479	4.6290	1.1003	5.5032	1.7991	5.5645	1.8207		5.2657	6.5267
H11	2.9287	2.8831	4.6290	2.4479	5.5032	1.1003	5.5645	1.7991	6.5268	5.2657		1.8207
H12	3.7370	4.1847	5.2592	2.4063	6.5118	1.1002	6.5267	1.8207	7.4603	6.5267	1.8207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	98.791	C1	S4	C6	98.791
S2	C1	S3	125.359	S2	C1	S4	125.359
S3	C1	S4	109.281	S3	C5	H7	108.882
S3	C5	H9	105.927	S3	C5	H10	108.882
S4	C6	H8	108.882	S4	C6	H11	108.882
S4	C6	H12	105.927	H7	C5	H9	111.666
H7	C5	H10	109.686	H8	C6	H11	109.686
H8	C6	H12	111.666	H9	C5	H10	111.666
H11	C6	H12	111.665

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.962
2	S	0.128
3	S	0.483
4	S	0.483
5	C	-0.897
6	C	-0.897
7	H	0.283
8	H	0.283
9	H	0.265
10	H	0.283
11	H	0.283
12	H	0.265

	x	y	z
x	17.272	0.000	-0.001
y	0.000	13.671	-0.000
z	-0.001	-0.000	5.951

<r²>	338.175
(<r²>)^1/2	18.390

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

using model chemistry: LSDA/3-21G

States and conformations

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