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	hartrees
Energy at 0K	-1309.752189
Energy at 298.15K	-1309.758681
HF Energy	-1309.752189
Nuclear repulsion energy	432.978535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3305	2995	7.51
2	A	3304	2995	0.00
3	A	3282	2975	5.52
4	A	3282	2975	2.51
5	A	3196	2897	0.58
6	A	3196	2897	32.56
7	A	1594	1445	3.76
8	A	1592	1443	26.38
9	A	1577	1429	22.02
10	A	1576	1429	0.00
11	A	1488	1349	0.36
12	A	1480	1342	10.11
13	A	1164	1055	206.76
14	A	1077	977	11.84
15	A	1067	967	74.81
16	A	1065	965	2.49
17	A	1053	954	0.00
18	A	916	830	154.94
19	A	782	709	1.46
20	A	762	691	0.02
21	A	547	496	0.06
22	A	533	483	0.38
23	A	374	339	1.37
24	A	322	292	3.04
25	A	258	234	6.10
26	A	205	185	0.01
27	A	203	184	0.00
28	A	196	178	2.52
29	A	95	86	6.34
30	A	71	64	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.065	0.002
S2	0.000	1.690	0.000
S3	1.422	-0.961	0.000
S4	-1.422	-0.961	0.000
C5	2.861	0.121	-0.001
C6	-2.861	0.121	-0.001
H7	2.873	0.738	0.881
H8	-2.873	0.738	0.881
H9	3.719	-0.537	-0.002
H10	2.871	0.738	-0.883
H11	-2.871	0.738	-0.883
H12	-3.719	-0.537	-0.002

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6253	1.7535	1.7535	2.8617	2.8617	3.0786	3.0786	3.7677	3.0786	3.0786	3.7677
S2	1.6253		3.0087	3.0087	3.2633	3.2633	3.1521	3.1521	4.3351	3.1508	3.1508	4.3351
S3	1.7535	3.0087		2.8433	1.8011	4.4175	2.4017	4.7016	2.3366	2.4017	4.7004	5.1585
S4	1.7535	3.0087	2.8433		4.4175	1.8011	4.7016	2.4017	5.1585	4.7004	2.4017	2.3366
C5	2.8617	3.2633	1.8011	4.4175		5.7224	1.0761	5.8341	1.0813	1.0761	5.8322	6.6134
C6	2.8617	3.2633	4.4175	1.8011	5.7224		5.8341	1.0761	6.6134	5.8322	1.0761	1.0813
H7	3.0786	3.1521	2.4017	4.7016	1.0761	5.8341		5.7457	1.7665	1.7633	6.0083	6.7721
H8	3.0786	3.1521	4.7016	2.4017	5.8341	1.0761	5.7457		6.7721	6.0083	1.7633	1.7665
H9	3.7677	4.3351	2.3366	5.1585	1.0813	6.6134	1.7665	6.7721		1.7665	6.7699	7.4387
H10	3.0786	3.1508	2.4017	4.7004	1.0761	5.8322	1.7633	6.0083	1.7665		5.7417	6.7699
H11	3.0786	3.1508	4.7004	2.4017	5.8322	1.0761	6.0083	1.7633	6.7699	5.7417		1.7665
H12	3.7677	4.3351	5.1585	2.3366	6.6134	1.0813	6.7721	1.7665	7.4387	6.7699	1.7665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	107.231	C1	S4	C6	107.231
S2	C1	S3	125.829	S2	C1	S4	125.829
S3	C1	S4	108.342	S3	C5	H7	110.638
S3	C5	H9	105.591	S3	C5	H10	110.639
S4	C6	H8	110.638	S4	C6	H11	110.639
S4	C6	H12	105.591	H7	C5	H9	109.932
H7	C5	H10	110.023	H8	C6	H11	110.023
H8	C6	H12	109.932	H9	C5	H10	109.932
H11	C6	H12	109.932

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

using model chemistry: HF/Def2TZVPP

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	-0.037
2	S	-0.277
3	S	0.063
4	S	0.063
5	C	-0.204
6	C	-0.204
7	H	0.099
8	H	0.099
9	H	0.101
10	H	0.099
11	H	0.099
12	H	0.101

	x	y	z	Total
	0.000	-0.393	0.001	0.393
CHELPG
AIM
ESP

	x	y	z
x	17.597	0.000	-0.000
y	0.000	14.979	0.000
z	-0.000	0.000	8.611

<r²>	332.674
(<r²>)^1/2	18.239

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

using model chemistry: HF/Def2TZVPP

States and conformations

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