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	hartrees
Energy at 0K	-551.591046
Energy at 298.15K	-551.598300
HF Energy	-551.591046
Nuclear repulsion energy	185.236907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3303	2987	9.66	102.63	0.71	0.83
2	A'	3299	2983	25.30	110.32	0.75	0.85
3	A'	3204	2898	14.49	216.67	0.00	0.01
4	A'	1615	1460	23.13	1.34	0.70	0.82
5	A'	1591	1439	3.70	18.44	0.72	0.84
6	A'	1506	1362	7.83	3.29	0.06	0.11
7	A'	1145	1036	98.06	3.27	0.55	0.71
8	A'	1142	1033	41.33	3.07	0.56	0.72
9	A'	1061	959	50.64	6.07	0.73	0.84
10	A'	737	667	2.76	31.88	0.12	0.22
11	A'	400	362	13.92	1.42	0.48	0.65
12	A'	310	280	0.54	1.83	0.69	0.81
13	A'	254	230	0.81	0.05	0.57	0.73
14	A"	3302	2986	5.87	43.64	0.75	0.86
15	A"	3293	2978	0.34	10.95	0.75	0.86
16	A"	3199	2893	12.50	0.38	0.75	0.86
17	A"	1596	1444	0.28	22.50	0.75	0.86
18	A"	1578	1427	9.67	2.33	0.75	0.86
19	A"	1482	1340	1.16	0.16	0.75	0.86
20	A"	1045	945	9.07	3.72	0.75	0.86
21	A"	995	899	1.03	0.35	0.75	0.86
22	A"	777	703	11.79	18.11	0.75	0.86
23	A"	347	314	17.06	3.00	0.75	0.86
24	A"	209	189	0.00	0.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.257	0.417	0.000
O2	-1.087	1.044	0.000
C3	0.257	-0.762	1.356
C4	0.257	-0.762	-1.356
H5	1.159	-1.361	1.337
H6	1.159	-1.361	-1.337
H7	0.217	-0.193	2.274
H8	0.217	-0.193	-2.274
H9	-0.625	-1.384	1.282
H10	-0.625	-1.384	-1.282

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.4829	1.7967	1.7967	2.4000	2.4000	2.3544	2.3544	2.3800	2.3800
O2	1.4829		2.6282	2.6282	3.5515	3.5515	2.8985	2.8985	2.7846	2.7846
C3	1.7967	2.6282		2.7120	1.0824	2.9026	1.0807	3.6744	1.0816	2.8505
C4	1.7967	2.6282	2.7120		2.9026	1.0824	3.6744	1.0807	2.8505	1.0816
H5	2.4000	3.5515	1.0824	2.9026		2.6746	1.7682	3.9102	1.7847	3.1694
H6	2.4000	3.5515	2.9026	1.0824	2.6746		3.9102	1.7682	3.1694	1.7847
H7	2.3544	2.8985	1.0807	3.6744	1.7682	3.9102		4.5476	1.7638	3.8437
H8	2.3544	2.8985	3.6744	1.0807	3.9102	1.7682	4.5476		3.8437	1.7638
H9	2.3800	2.7846	1.0816	2.8505	1.7847	3.1694	1.7638	3.8437		2.5648
H10	2.3800	2.7846	2.8505	1.0816	3.1694	1.7847	3.8437	1.7638	2.5648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.468	S1	C3	H7	107.181
S1	C3	H9	109.014	S1	C4	H6	110.468
S1	C4	H8	107.181	S1	C4	H10	109.014
O2	S1	C3	106.124	O2	S1	C4	106.124
C3	S1	C4	97.998	H5	C3	H7	109.658
H5	C3	H9	111.119	H6	C4	H8	109.658
H6	C4	H10	111.119	H7	C3	H9	109.310
H8	C4	H10	109.310

All results from a given calculation for CH₃SOCH₃ (Dimethyl sulfoxide)

using model chemistry: HF/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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Number	Element	Mulliken
1	S	0.824
2	O	-0.728
3	C	-0.799
4	C	-0.799
5	H	0.235
6	H	0.235
7	H	0.263
8	H	0.263
9	H	0.252
10	H	0.252

	x	y	z	Total
	3.164	-3.547	0.000	4.753
CHELPG
AIM
ESP	4.554	-1.358	0.000	4.752

	x	y	z
x	5.460	-0.598	0.000
y	-0.598	6.045	0.000
z	0.000	0.000	6.791

<r²>	100.893
(<r²>)^1/2	10.045

All results from a given calculation for CH3SOCH3 (Dimethyl sulfoxide)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for CH₃SOCH₃ (Dimethyl sulfoxide)