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	hartrees
Energy at 0K	-644.363660
Energy at 298.15K	-644.371342
HF Energy	-644.363660
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3528	3361	35.84
2	A'	3214	3062	0.05
3	A'	3089	2942	0.28
4	A'	1573	1498	32.97
5	A'	1433	1365	6.99
6	A'	1329	1266	16.83
7	A'	1147	1093	184.40
8	A'	974	928	30.67
9	A'	893	851	95.13
10	A'	730	695	73.17
11	A'	720	686	155.94
12	A'	488	465	53.32
13	A'	465	443	17.78
14	A'	293	279	5.00
15	A"	3639	3466	49.98
16	A"	3221	3068	0.01
17	A"	1432	1364	0.32
18	A"	1363	1298	234.16
19	A"	1099	1047	6.28
20	A"	957	911	1.11
21	A"	386	368	0.32
22	A"	318	303	2.06
23	A"	211	201	0.53
24	A"	150	143	43.72

Atom	x (Å)	y (Å)	z (Å)
C1	-1.678	-0.042	0.000
S2	0.105	-0.136	0.000
N3	0.532	1.504	0.000
O4	0.532	-0.708	1.284
O5	0.532	-0.708	-1.284
H6	-2.044	-1.077	0.000
H7	-1.997	0.485	0.906
H8	-1.997	0.485	-0.906
H9	1.096	1.673	0.834
H10	1.096	1.673	-0.834

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7859	2.6971	2.6410	2.6410	1.0972	1.0959	1.0959	3.3665	3.3665
S2	1.7859		1.6951	1.4691	1.4691	2.3465	2.3725	2.3725	2.2252	2.2252
N3	2.6971	1.6951		2.5585	2.5585	3.6465	2.8734	2.8734	1.0210	1.0210
O4	2.6410	1.4691	2.5585		2.5686	2.9019	2.8218	3.5521	2.4888	3.2371
O5	2.6410	1.4691	2.5585	2.5686		2.9019	3.5521	2.8218	3.2371	2.4888
H6	1.0972	2.3465	3.6465	2.9019	2.9019		1.8059	1.8059	4.2566	4.2566
H7	1.0959	2.3725	2.8734	2.8218	3.5521	1.8059		1.8121	3.3144	3.7428
H8	1.0959	2.3725	2.8734	3.5521	2.8218	1.8059	1.8121		3.7428	3.3144
H9	3.3665	2.2252	1.0210	2.4888	3.2371	4.2566	3.3144	3.7428		1.6681
H10	3.3665	2.2252	1.0210	3.2371	2.4888	4.2566	3.7428	3.3144	1.6681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.546	C1	S2	O4	108.067
C1	S2	O5	108.067	S2	C1	H6	106.499
S2	C1	H7	108.445	S2	C1	H8	108.445
S2	N3	H9	107.410	S2	N3	H10	107.410
N3	S2	O4	107.698	N3	S2	O5	107.698
O4	S2	O5	121.898	H6	C1	H7	110.860
H6	C1	H8	110.860	H7	C1	H8	111.541
H9	N3	H10	109.548

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: wB97X-D/cc-pVDZ

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	C	-0.166
2	S	0.833
3	N	-0.316
4	O	-0.465
5	O	-0.465
6	H	0.102
7	H	0.091
8	H	0.091
9	H	0.148
10	H	0.148

	x	y	z	Total
	-1.602	2.889	0.000	3.303
CHELPG
AIM
ESP

	x	y	z
x	5.926	0.381	0.000
y	0.381	5.678	0.000
z	0.000	0.000	5.889

<r²>	121.554
(<r²>)^1/2	11.025

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)