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	hartrees
Energy at 0K	-644.616660
Energy at 298.15K	-644.624336
HF Energy	-644.616660
Nuclear repulsion energy	276.998677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3487	3366	29.23
2	A'	3161	3051	0.47
3	A'	3060	2953	0.49
4	A'	1586	1531	30.56
5	A'	1465	1414	4.88
6	A'	1349	1302	9.19
7	A'	1133	1093	162.14
8	A'	981	947	21.50
9	A'	868	838	93.28
10	A'	704	680	18.91
11	A'	659	636	201.68
12	A'	483	466	38.66
13	A'	459	443	8.97
14	A'	281	272	4.32
15	A"	3592	3467	43.11
16	A"	3169	3058	0.82
17	A"	1467	1416	1.29
18	A"	1343	1297	246.54
19	A"	1084	1046	4.53
20	A"	967	933	0.80
21	A"	382	369	0.19
22	A"	319	308	2.99
23	A"	216	209	3.16
24	A"	179	173	30.29

Atom	x (Å)	y (Å)	z (Å)
C1	-1.681	-0.058	0.000
S2	0.108	-0.134	0.000
N3	0.533	1.497	0.000
O4	0.533	-0.702	1.272
O5	0.533	-0.702	-1.272
H6	-2.029	-1.090	0.000
H7	-2.003	0.462	0.899
H8	-2.003	0.462	-0.899
H9	1.069	1.702	0.837
H10	1.069	1.702	-0.837

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7901	2.7053	2.6324	2.6324	1.0888	1.0876	1.0876	3.3706	3.3706
S2	1.7901		1.6856	1.4559	1.4559	2.3411	2.3706	2.3706	2.2347	2.2347
N3	2.7053	1.6856		2.5401	2.5401	3.6410	2.8830	2.8830	1.0149	1.0149
O4	2.6324	1.4559	2.5401		2.5431	2.8864	2.8149	3.5350	2.5006	3.2418
O5	2.6324	1.4559	2.5401	2.5431		2.8864	3.5350	2.8149	3.2418	2.5006
H6	1.0888	2.3411	3.6410	2.8864	2.8864		1.7935	1.7935	4.2538	4.2538
H7	1.0876	2.3706	2.8830	2.8149	3.5350	1.7935		1.7980	3.3140	3.7406
H8	1.0876	2.3706	2.8830	3.5350	2.8149	1.7935	1.7980		3.7406	3.3140
H9	3.3706	2.2347	1.0149	2.5006	3.2418	4.2538	3.3140	3.7406		1.6736
H10	3.3706	2.2347	1.0149	3.2418	2.5006	4.2538	3.7406	3.3140	1.6736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.182	C1	S2	O4	107.940
C1	S2	O5	107.940	S2	C1	H6	106.254
S2	C1	H7	108.455	S2	C1	H8	108.455
S2	N3	H9	109.158	S2	N3	H10	109.158
N3	S2	O4	107.689	N3	S2	O5	107.689
O4	S2	O5	121.699	H6	C1	H7	110.985
H6	C1	H8	110.985	H7	C1	H8	111.502
H9	N3	H10	111.074

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: TPSSh/aug-cc-pVTZ

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	-0.310
2	S	1.854
3	N	-0.350
4	O	-0.855
5	O	-0.855
6	H	0.122
7	H	0.129
8	H	0.129
9	H	0.068
10	H	0.068

	x	y	z	Total
	-1.705	2.920	0.000	3.381
CHELPG
AIM
ESP

	x	y	z
x	7.842	0.265	0.000
y	0.265	7.466	0.000
z	0.000	0.000	7.320

<r²>	121.188
(<r²>)^1/2	11.009

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)