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	hartrees
Energy at 0K	-914.088556
Energy at 298.15K	-914.097036
HF Energy	-913.359949
Nuclear repulsion energy	268.249391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3101	2947	47.61
2	A₁	3082	2928	0.66
3	A₁	2799	2659	2.46
4	A₁	1522	1446	1.80
5	A₁	1510	1435	0.07
6	A₁	1347	1280	43.74
7	A₁	1129	1072	3.82
8	A₁	887	843	1.86
9	A₁	827	786	0.59
10	A₁	306	291	0.28
11	A₁	130	123	0.14
12	A₂	3157	3000	0.00
13	A₂	1347	1280	0.00
14	A₂	1145	1088	0.00
15	A₂	868	824	0.00
16	A₂	166	158	0.00
17	A₂	78	74	0.00
18	B₁	3170	3012	26.88
19	B₁	3133	2977	0.20
20	B₁	1308	1243	5.44
21	B₁	1063	1010	9.81
22	B₁	789	750	4.07
23	B₁	147	140	43.53
24	B₁	102	97	0.08
25	B₂	3095	2941	4.80
26	B₂	2799	2659	8.84
27	B₂	1506	1431	3.70
28	B₂	1413	1342	18.70
29	B₂	1269	1206	14.77
30	B₂	1102	1047	0.02
31	B₂	929	883	0.28
32	B₂	750	712	1.80
33	B₂	342	325	5.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.162
C2	0.000	1.259	-0.701
C3	0.000	-1.259	-0.701
H4	0.883	0.000	0.810
H5	-0.883	0.000	0.810
S6	0.000	2.720	0.386
S7	0.000	-2.720	0.386
H8	0.000	3.629	-0.592
H9	0.000	-3.629	-0.592
H10	0.890	1.270	-1.336
H11	-0.890	1.270	-1.336
H12	-0.890	-1.270	-1.336
H13	0.890	-1.270	-1.336

	C1	C2	C3	H4	H5	S6	S7	H8	H9	H10	H11	H12	H13
C1		1.5261	1.5261	1.0957	1.0957	2.7292	2.7292	3.7067	3.7067	2.1555	2.1555	2.1555	2.1555
C2	1.5261		2.5175	2.1560	2.1560	1.8215	4.1246	2.3731	4.8892	1.0931	1.0931	2.7547	2.7547
C3	1.5261	2.5175		2.1560	2.1560	4.1246	1.8215	4.8892	2.3731	2.7547	2.7547	1.0931	1.0931
H4	1.0957	2.1560	2.1560		1.7667	2.8910	2.8910	3.9897	3.9897	2.4930	3.0595	3.0595	2.4930
H5	1.0957	2.1560	2.1560	1.7667		2.8910	2.8910	3.9897	3.9897	3.0595	2.4930	2.4930	3.0595
S6	2.7292	1.8215	4.1246	2.8910	2.8910		5.4400	1.3356	6.4242	2.4206	2.4206	4.4356	4.4356
S7	2.7292	4.1246	1.8215	2.8910	2.8910	5.4400		6.4242	1.3356	4.4356	4.4356	2.4206	2.4206
H8	3.7067	2.3731	4.8892	3.9897	3.9897	1.3356	6.4242		7.2586	2.6291	2.6291	5.0345	5.0345
H9	3.7067	4.8892	2.3731	3.9897	3.9897	6.4242	1.3356	7.2586		5.0345	5.0345	2.6291	2.6291
H10	2.1555	1.0931	2.7547	2.4930	3.0595	2.4206	4.4356	2.6291	5.0345		1.7804	3.1015	2.5396
H11	2.1555	1.0931	2.7547	3.0595	2.4930	2.4206	4.4356	2.6291	5.0345	1.7804		2.5396	3.1015
H12	2.1555	2.7547	1.0931	3.0595	2.4930	4.4356	2.4206	5.0345	2.6291	3.1015	2.5396		1.7804
H13	2.1555	2.7547	1.0931	2.4930	3.0595	4.4356	2.4206	5.0345	2.6291	2.5396	3.1015	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S6	108.914	C1	C2	H10	109.658
C1	C2	H11	109.658	C1	C3	S7	108.914
C1	C3	H12	109.658	C1	C3	H13	109.658
C2	C1	C3	111.139	C2	C1	H4	109.544
C2	C1	H5	109.544	C2	S6	H8	96.251
C3	C1	H4	109.544	C3	C1	H5	109.544
C3	S7	H9	96.251	H4	C1	H5	107.450
S6	C2	H10	109.770	S6	C2	H11	109.770
S7	C3	H12	109.770	S7	C3	H13	109.770
H10	C2	H11	109.058	H12	C3	H13	109.058

All results from a given calculation for C₃H₈S₂ (1,3-Propanedithiol)

using model chemistry: MP2/6-311G**

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 C3H8S2 (1,3-Propanedithiol)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for C₃H₈S₂ (1,3-Propanedithiol)