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	hartrees
Energy at 0K	-552.205312
Energy at 298.15K	-552.212301
HF Energy	-551.589915
Nuclear repulsion energy	183.861830

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'	3203	3044	4.29	99.31	0.73	0.85
2	A'	3197	3038	7.50	95.14	0.73	0.84
3	A'	3082	2929	7.53	218.78	0.00	0.00
4	A'	1516	1441	28.05	1.59	0.70	0.82
5	A'	1490	1416	5.02	18.30	0.71	0.83
6	A'	1400	1331	19.59	2.76	0.08	0.15
7	A'	1125	1069	147.63	4.24	0.52	0.68
8	A'	1062	1009	19.33	2.55	0.51	0.68
9	A'	998	949	12.80	3.77	0.71	0.83
10	A'	694	660	12.15	27.17	0.12	0.21
11	A'	379	360	9.49	2.19	0.46	0.63
12	A'	301	286	0.41	2.51	0.74	0.85
13	A'	241	229	0.62	0.12	0.56	0.72
14	A"	3202	3043	1.36	39.35	0.75	0.86
15	A"	3194	3035	0.02	7.70	0.75	0.86
16	A"	3080	2927	4.56	0.14	0.75	0.86
17	A"	1494	1420	0.22	23.03	0.75	0.86
18	A"	1474	1401	13.28	2.20	0.75	0.86
19	A"	1376	1307	8.89	0.31	0.75	0.86
20	A"	963	915	7.97	3.43	0.75	0.86
21	A"	928	882	2.05	0.51	0.75	0.86
22	A"	717	682	22.21	16.43	0.75	0.86
23	A"	316	300	10.26	4.10	0.75	0.86
24	A"	166	157	0.00	0.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.261	0.430	0.000
O2	-1.100	1.068	0.000
C3	0.261	-0.782	1.341
C4	0.261	-0.782	-1.341
H5	1.161	-1.399	1.307
H6	1.161	-1.399	-1.307
H7	0.232	-0.224	2.277
H8	0.232	-0.224	-2.277
H9	-0.641	-1.392	1.257
H10	-0.641	-1.392	-1.257

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.5024	1.8073	1.8073	2.4209	2.4209	2.3689	2.3689	2.3898	2.3898
O2	1.5024		2.6590	2.6590	3.5917	3.5917	2.9368	2.9368	2.7999	2.7999
C3	1.8073	2.6590		2.6815	1.0916	2.8633	1.0901	3.6604	1.0917	2.8166
C4	1.8073	2.6590	2.6815		2.8633	1.0916	3.6604	1.0901	2.8166	1.0917
H5	2.4209	3.5917	1.0916	2.8633		2.6131	1.7845	3.8837	1.8027	3.1335
H6	2.4209	3.5917	2.8633	1.0916	2.6131		3.8837	1.7845	3.1335	1.8027
H7	2.3689	2.9368	1.0901	3.6604	1.7845	3.8837		4.5535	1.7791	3.8226
H8	2.3689	2.9368	3.6604	1.0901	3.8837	1.7845	4.5535		3.8226	1.7791
H9	2.3898	2.7999	1.0917	2.8166	1.8027	3.1335	1.7791	3.8226		2.5140
H10	2.3898	2.7999	2.8166	1.0917	3.1335	1.8027	3.8226	1.7791	2.5140

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	110.823	S1	C3	H7	107.074
S1	C3	H9	108.511	S1	C4	H6	110.823
S1	C4	H8	107.074	S1	C4	H10	108.511
O2	S1	C3	106.547	O2	S1	C4	106.547
C3	S1	C4	95.777	H5	C3	H7	109.749
H5	C3	H9	111.313	H6	C4	H8	109.749
H6	C4	H10	111.313	H7	C3	H9	109.260
H8	C4	H10	109.260

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

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 CH3SOCH3 (Dimethyl sulfoxide)

using model chemistry: MP2/6-311G*

States and conformations

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