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	hartrees
Energy at 0K	-555.508720
Energy at 298.15K	-555.519381
HF Energy	-554.804862
Nuclear repulsion energy	233.297198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3186	2991	32.03
2	A₁	3110	2919	21.72
3	A₁	3108	2917	29.60
4	A₁	1566	1470	2.71
5	A₁	1559	1463	2.10
6	A₁	1478	1387	1.38
7	A₁	1388	1303	12.45
8	A₁	1143	1073	0.28
9	A₁	1042	978	2.77
10	A₁	736	691	0.00
11	A₁	343	322	0.86
12	A₁	149	140	0.23
13	A₂	3195	2999	0.00
14	A₂	3159	2965	0.00
15	A₂	1553	1458	0.00
16	A₂	1313	1232	0.00
17	A₂	1090	1023	0.00
18	A₂	814	764	0.00
19	A₂	258	242	0.00
20	A₂	79	74	0.00
21	B₁	3194	2998	49.40
22	B₁	3154	2961	19.27
23	B₁	1553	1458	15.55
24	B₁	1319	1238	0.00
25	B₁	1113	1045	0.13
26	B₁	830	779	8.15
27	B₁	254	239	0.25
28	B₁	56	53	0.79
29	B₂	3186	2991	12.36
30	B₂	3111	2920	5.40
31	B₂	3108	2917	34.91
32	B₂	1564	1468	0.05
33	B₂	1551	1456	11.45
34	B₂	1475	1385	6.06
35	B₂	1355	1272	36.84
36	B₂	1095	1028	3.80
37	B₂	1037	973	3.19
38	B₂	739	693	0.58
39	B₂	349	328	1.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.564
C2	0.000	1.383	-0.618
C3	0.000	-1.383	-0.618
C4	0.000	2.715	0.129
C5	0.000	-2.715	0.129
H6	0.885	1.308	-1.258
H7	-0.885	1.308	-1.258
H8	0.885	-1.308	-1.258
H9	-0.885	-1.308	-1.258
H10	0.000	3.546	-0.584
H11	0.000	-3.546	-0.584
H12	-0.886	2.808	0.763
H13	0.886	2.808	0.763
H14	0.886	-2.808	0.763
H15	-0.886	-2.808	0.763

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
S1		1.8192	1.8192	2.7494	2.7494	2.4108	2.4108	2.4108	2.4108	3.7266	3.7266	2.9516	2.9516	2.9516	2.9516
C2	1.8192		2.7670	1.5262	4.1657	1.0948	1.0948	2.9050	2.9050	2.1624	4.9292	2.1728	2.1728	4.5014	4.5014
C3	1.8192	2.7670		4.1657	1.5262	2.9050	2.9050	1.0948	1.0948	4.9292	2.1624	4.5014	4.5014	2.1728	2.1728
C4	2.7494	1.5262	4.1657		5.4296	2.1640	2.1640	4.3464	4.3464	1.0942	6.3008	1.0936	1.0936	5.6297	5.6297
C5	2.7494	4.1657	1.5262	5.4296		4.3464	4.3464	2.1640	2.1640	6.3008	1.0942	5.6297	5.6297	1.0936	1.0936
H6	2.4108	1.0948	2.9050	2.1640	4.3464		1.7705	2.6168	3.1595	2.4986	4.9799	3.0772	2.5163	4.5858	4.9160
H7	2.4108	1.0948	2.9050	2.1640	4.3464	1.7705		3.1595	2.6168	2.4986	4.9799	2.5163	3.0772	4.9160	4.5858
H8	2.4108	2.9050	1.0948	4.3464	2.1640	2.6168	3.1595		1.7705	4.9799	2.4986	4.9160	4.5858	2.5163	3.0772
H9	2.4108	2.9050	1.0948	4.3464	2.1640	3.1595	2.6168	1.7705		4.9799	2.4986	4.5858	4.9160	3.0772	2.5163
H10	3.7266	2.1624	4.9292	1.0942	6.3008	2.4986	2.4986	4.9799	4.9799		7.0912	1.7724	1.7724	6.5552	6.5552
H11	3.7266	4.9292	2.1624	6.3008	1.0942	4.9799	4.9799	2.4986	2.4986	7.0912		6.5552	6.5552	1.7724	1.7724
H12	2.9516	2.1728	4.5014	1.0936	5.6297	3.0772	2.5163	4.9160	4.5858	1.7724	6.5552		1.7720	5.8897	5.6168
H13	2.9516	2.1728	4.5014	1.0936	5.6297	2.5163	3.0772	4.5858	4.9160	1.7724	6.5552	1.7720		5.6168	5.8897
H14	2.9516	4.5014	2.1728	5.6297	1.0936	4.5858	4.9160	2.5163	3.0772	6.5552	1.7724	5.8897	5.6168		1.7720
H15	2.9516	4.5014	2.1728	5.6297	1.0936	4.9160	4.5858	3.0772	2.5163	6.5552	1.7724	5.6168	5.8897	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	110.237	S1	C2	H6	109.105
S1	C2	H7	109.105	S1	C3	C5	110.237
S1	C3	H8	109.105	S1	C3	H9	109.105
C2	S1	C3	99.017	C2	C4	H10	110.125
C2	C4	H12	110.989	C2	C4	H13	110.989
C3	C5	H11	110.125	C3	C5	H14	110.989
C3	C5	H15	110.989	C4	C2	H6	110.216
C4	C2	H7	110.216	C5	C3	H8	110.216
C5	C3	H9	110.216	H6	C2	H7	107.914
H8	C3	H9	107.914	H10	C4	H12	108.209
H10	C4	H13	108.209	H11	C5	H14	108.209
H11	C5	H15	108.209	H12	C4	H13	108.222
H14	C5	H15	108.222

All results from a given calculation for C₂H₅SC₂H₅ (Diethyl sulfide)

using model chemistry: MP3/6-31G*

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 C2H5SC2H5 (Diethyl sulfide)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for C₂H₅SC₂H₅ (Diethyl sulfide)