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	hartrees
Energy at 0K	-1310.439785
Energy at 298.15K	-1310.445869
HF Energy	-1309.625264
Nuclear repulsion energy	432.089906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3255	3061	2.93
2	A	3254	3060	0.26
3	A	3247	3054	1.91
4	A	3247	3054	4.53
5	A	3134	2948	11.28
6	A	3134	2948	7.70
7	A	1508	1419	1.01
8	A	1506	1416	31.63
9	A	1476	1388	0.38
10	A	1476	1388	22.54
11	A	1422	1338	0.00
12	A	1414	1330	1.96
13	A	1151	1082	158.42
14	A	1023	963	17.08
15	A	1021	960	8.70
16	A	1011	951	3.24
17	A	1001	941	0.27
18	A	876	824	177.32
19	A	773	727	1.55
20	A	760	715	2.26
21	A	528	497	2.52
22	A	469	441	5.20
23	A	363	341	3.48
24	A	316	297	2.26
25	A	250	235	3.78
26	A	195	184	1.40
27	A	158	148	0.00
28	A	153	143	0.23
29	A	76	72	5.66
30	A	42	40	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.025	-0.000
S2	0.000	1.665	-0.000
S3	-1.429	-0.998	-0.087
S4	1.429	-0.998	0.086
C5	-2.752	0.212	0.071
C6	2.752	0.212	-0.070
H7	-2.724	0.924	-0.750
H8	2.683	0.743	-1.016
H9	-3.677	-0.361	0.035
H10	-2.683	0.743	1.017
H11	2.724	0.924	0.750
H12	3.677	-0.361	-0.035

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6401	1.7594	1.7594	2.7592	2.7592	2.9652	2.9575	3.6976	2.9577	2.9652	3.6976
S2	1.6401		3.0234	3.0233	3.1131	3.1129	2.9213	3.0134	4.1987	3.0139	2.9213	4.1984
S3	1.7594	3.0234		2.8628	1.7996	4.3523	2.4107	4.5610	2.3400	2.4126	4.6521	5.1458
S4	1.7594	3.0233	2.8628		4.3523	1.7996	4.6521	2.4126	5.1459	4.5611	2.4108	2.3400
C5	2.7592	3.1131	1.7996	4.3523		5.5058	1.0866	5.5680	1.0887	1.0873	5.5641	6.4555
C6	2.7592	3.1129	4.3523	1.7996	5.5058		5.5641	1.0873	6.4555	5.5681	1.0866	1.0887
H7	2.9652	2.9213	2.4107	4.6521	1.0866	5.5641		5.4169	1.7816	1.7760	5.6513	6.5683
H8	2.9575	3.0134	4.5610	2.4126	5.5680	1.0873	5.4169		6.5403	5.7383	1.7760	1.7808
H9	3.6976	4.1987	2.3400	5.1459	1.0887	6.4555	1.7816	6.5403		1.7808	6.5683	7.3547
H10	2.9577	3.0139	2.4126	4.5611	1.0873	5.5681	1.7760	5.7383	1.7808		5.4170	6.5404
H11	2.9652	2.9213	4.6521	2.4108	5.5641	1.0866	5.6513	1.7760	6.5683	5.4170		1.7816
H12	3.6976	4.1984	5.1458	2.3400	6.4555	1.0887	6.5683	1.7808	7.3547	6.5404	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	101.657	C1	S4	C6	101.653
S2	C1	S3	125.553	S2	C1	S4	125.548
S3	C1	S4	108.899	S3	C5	H7	110.857
S3	C5	H9	105.572	S3	C5	H10	110.960
S4	C6	H8	110.960	S4	C6	H11	110.858
S4	C6	H12	105.571	H7	C5	H9	109.976
H7	C5	H10	109.569	H8	C6	H11	109.567
H8	C6	H12	109.846	H9	C5	H10	109.843
H11	C6	H12	109.974

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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