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	hartrees
Energy at 0K	-644.446529
Energy at 298.15K	-644.454146
HF Energy	-644.446529
Nuclear repulsion energy	274.996525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3473	3332	25.52
2	A'	3194	3064	1.16
3	A'	3091	2966	0.82
4	A'	1632	1566	35.92
5	A'	1498	1437	5.78
6	A'	1389	1333	8.03
7	A'	1132	1086	179.25
8	A'	1005	965	20.04
9	A'	896	860	102.75
10	A'	721	692	83.40
11	A'	679	652	181.98
12	A'	478	458	35.28
13	A'	455	436	16.77
14	A'	279	268	4.48
15	A"	3585	3439	32.82
16	A"	3203	3073	1.55
17	A"	1498	1437	2.23
18	A"	1357	1302	220.71
19	A"	1105	1060	4.61
20	A"	994	953	1.00
21	A"	380	365	0.19
22	A"	312	299	3.66
23	A"	223	214	0.43
24	A"	156	150	46.54

Atom	x (Å)	y (Å)	z (Å)
C1	-1.685	-0.046	0.000
S2	0.110	-0.140	0.000
N3	0.533	1.509	0.000
O4	0.533	-0.709	1.286
O5	0.533	-0.709	-1.286
H6	-2.057	-1.072	0.000
H7	-2.009	0.480	0.899
H8	-2.009	0.480	-0.899
H9	1.084	1.704	0.836
H10	1.084	1.704	-0.836

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7975	2.7087	2.6480	2.6480	1.0921	1.0907	1.0907	3.3803	3.3803
S2	1.7975		1.7029	1.4679	1.4679	2.3591	2.3839	2.3839	2.2472	2.2472
N3	2.7087	1.7029		2.5636	2.5636	3.6569	2.8858	2.8858	1.0201	1.0201
O4	2.6480	1.4679	2.5636		2.5712	2.9144	2.8327	3.5563	2.5155	3.2601
O5	2.6480	1.4679	2.5636	2.5712		2.9144	3.5563	2.8327	3.2601	2.5155
H6	1.0921	2.3591	3.6569	2.9144	2.9144		1.7947	1.7947	4.2747	4.2747
H7	1.0907	2.3839	2.8858	2.8327	3.5563	1.7947		1.7980	3.3265	3.7514
H8	1.0907	2.3839	2.8858	3.5563	2.8327	1.7947	1.7980		3.7514	3.3265
H9	3.3803	2.2472	1.0201	2.5155	3.2601	4.2747	3.3265	3.7514		1.6727
H10	3.3803	2.2472	1.0201	3.2601	2.5155	4.2747	3.7514	3.3265	1.6727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.362	C1	S2	O4	107.948
C1	S2	O5	107.948	S2	C1	H6	106.904
S2	C1	H7	108.780	S2	C1	H8	108.780
S2	N3	H9	108.617	S2	N3	H10	108.617
N3	S2	O4	107.670	N3	S2	O5	107.670
O4	S2	O5	122.278	H6	C1	H7	110.615
H6	C1	H8	110.615	H7	C1	H8	111.021
H9	N3	H10	110.136

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: TPSSh/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	C	-0.655
2	S	1.159
3	N	-0.850
4	O	-0.526
5	O	-0.526
6	H	0.226
7	H	0.220
8	H	0.220
9	H	0.366
10	H	0.366

	x	y	z	Total
	-1.446	2.849	0.000	3.195
CHELPG
AIM
ESP

	x	y	z
x	5.889	0.360	0.000
y	0.360	5.803	0.000
z	0.000	0.000	5.942

<r²>	122.221
(<r²>)^1/2	11.055

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)