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	hartrees
Energy at 0K	-553.158911
Energy at 298.15K	-553.165822
HF Energy	-553.158911
Nuclear repulsion energy	183.107424

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'	3200	3045	2.59	106.58	0.70	0.82
2	A'	3192	3037	8.73	101.71	0.75	0.86
3	A'	3080	2931	5.52	218.36	0.00	0.00
4	A'	1493	1421	23.51	2.81	0.74	0.85
5	A'	1469	1398	3.77	24.94	0.73	0.84
6	A'	1364	1298	11.43	0.59	0.63	0.77
7	A'	1133	1078	123.21	7.18	0.42	0.59
8	A'	1040	990	24.18	5.94	0.61	0.76
9	A'	976	929	9.65	7.30	0.74	0.85
10	A'	668	636	9.24	24.85	0.12	0.21
11	A'	367	349	7.73	1.29	0.28	0.43
12	A'	288	274	0.69	1.56	0.71	0.83
13	A'	234	223	0.50	0.07	0.55	0.71
14	A"	3200	3045	1.43	39.49	0.75	0.86
15	A"	3189	3034	0.05	7.94	0.75	0.86
16	A"	3079	2930	3.26	0.08	0.75	0.86
17	A"	1473	1402	0.61	30.38	0.75	0.86
18	A"	1454	1384	11.30	3.80	0.75	0.86
19	A"	1340	1275	3.37	1.26	0.75	0.86
20	A"	945	899	7.85	5.68	0.75	0.86
21	A"	903	859	3.02	0.87	0.75	0.86
22	A"	697	663	20.15	14.58	0.75	0.86
23	A"	304	289	7.74	3.17	0.75	0.86
24	A"	182	173	0.00	0.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.256	0.425	0.000
O2	-1.087	1.099	0.000
C3	0.256	-0.791	1.350
C4	0.256	-0.791	-1.350
H5	1.173	-1.383	1.321
H6	1.173	-1.383	-1.321
H7	0.211	-0.231	2.285
H8	0.211	-0.231	-2.285
H9	-0.625	-1.431	1.267
H10	-0.625	-1.431	-1.267

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5027	1.8168	1.8168	2.4194	2.4194	2.3774	2.3774	2.4131	2.4131
O2	1.5027		2.6831	2.6831	3.6074	3.6074	2.9449	2.9449	2.8668	2.8668
C3	1.8168	2.6831		2.7002	1.0919	2.8851	1.0903	3.6779	1.0918	2.8341
C4	1.8168	2.6831	2.7002		2.8851	1.0919	3.6779	1.0903	2.8341	1.0918
H5	2.4194	3.6074	1.0919	2.8851		2.6412	1.7840	3.9053	1.7992	3.1508
H6	2.4194	3.6074	2.8851	1.0919	2.6412		3.9053	1.7840	3.1508	1.7992
H7	2.3774	2.9449	1.0903	3.6779	1.7840	3.9053		4.5692	1.7812	3.8401
H8	2.3774	2.9449	3.6779	1.0903	3.9053	1.7840	4.5692		3.8401	1.7812
H9	2.4131	2.8668	1.0918	2.8341	1.7992	3.1508	1.7812	3.8401		2.5331
H10	2.4131	2.8668	2.8341	1.0918	3.1508	1.7992	3.8401	1.7812	2.5331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.047	S1	C3	H7	107.062
S1	C3	H9	109.587	S1	C4	H6	110.047
S1	C4	H8	107.062	S1	C4	H10	109.587
O2	S1	C3	107.479	O2	S1	C4	107.479
C3	S1	C4	95.993	H5	C3	H7	109.679
H5	C3	H9	110.956	H6	C4	H8	109.679
H6	C4	H10	110.956	H7	C3	H9	109.425
H8	C4	H10	109.425

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

using model chemistry: mPW1PW91/6-31G**

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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Number	Element	Mulliken
1	S	0.772
2	O	-0.639
3	C	-0.594
4	C	-0.594
5	H	0.160
6	H	0.160
7	H	0.187
8	H	0.187
9	H	0.181
10	H	0.181

	x	y	z	Total
	2.445	-3.160	0.000	3.995
CHELPG
AIM
ESP

	x	y	z
x	5.631	-0.810	0.000
y	-0.810	6.266	0.000
z	0.000	0.000	6.911

<r²>	102.087
(<r²>)^1/2	10.104

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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