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	hartrees
Energy at 0K	-644.167431
Energy at 298.15K	-644.175234
HF Energy	-643.842321
Nuclear repulsion energy	279.143782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3548	3388	38.73
2	A'	3205	3061	0.30
3	A'	3098	2959	0.14
4	A'	1599	1527	35.72
5	A'	1470	1404	4.13
6	A'	1366	1304	12.73
7	A'	1174	1121	148.36
8	A'	992	947	30.27
9	A'	898	858	99.54
10	A'	736	703	11.55
11	A'	677	646	225.09
12	A'	504	481	42.97
13	A'	482	460	10.06
14	A'	297	284	4.49
15	A"	3658	3494	48.70
16	A"	3214	3070	0.61
17	A"	1472	1406	0.02
18	A"	1403	1340	203.91
19	A"	1101	1051	1.40
20	A"	975	931	1.40
21	A"	401	383	0.20
22	A"	331	317	2.72
23	A"	222	212	3.53
24	A"	185	176	30.94

Atom	x (Å)	y (Å)	z (Å)
C1	-1.667	-0.056	0.000
S2	0.111	-0.134	0.000
N3	0.527	1.483	0.000
O4	0.527	-0.695	1.262
O5	0.527	-0.695	-1.262
H6	-2.026	-1.084	0.000
H7	-1.996	0.464	0.897
H8	-1.996	0.464	-0.897
H9	1.060	1.692	0.836
H10	1.060	1.692	-0.836

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7794	2.6801	2.6107	2.6107	1.0895	1.0881	1.0881	3.3455	3.3455
S2	1.7794		1.6701	1.4420	1.4420	2.3385	2.3666	2.3666	2.2219	2.2219
N3	2.6801	1.6701		2.5168	2.5168	3.6210	2.8652	2.8652	1.0131	1.0131
O4	2.6107	1.4420	2.5168		2.5230	2.8748	2.8007	3.5173	2.4827	3.2220
O5	2.6107	1.4420	2.5168	2.5230		2.8748	3.5173	2.8007	3.2220	2.4827
H6	1.0895	2.3385	3.6210	2.8748	2.8748		1.7902	1.7902	4.2349	4.2349
H7	1.0881	2.3666	2.8652	2.8007	3.5173	1.7902		1.7947	3.2941	3.7217
H8	1.0881	2.3666	2.8652	3.5173	2.8007	1.7902	1.7947		3.7217	3.2941
H9	3.3455	2.2219	1.0131	2.4827	3.2220	4.2349	3.2941	3.7217		1.6715
H10	3.3455	2.2219	1.0131	3.2220	2.4827	4.2349	3.7217	3.2941	1.6715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.920	C1	S2	O4	107.817
C1	S2	O5	107.817	S2	C1	H6	106.720
S2	C1	H7	108.844	S2	C1	H8	108.844
S2	N3	H9	109.355	S2	N3	H10	109.355
N3	S2	O4	107.715	N3	S2	O5	107.715
O4	S2	O5	122.049	H6	C1	H7	110.593
H6	C1	H8	110.593	H7	C1	H8	111.115
H9	N3	H10	111.175

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B2PLYP/6-31G(2df,p)

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	-0.471
2	S	0.554
3	N	-0.550
4	O	-0.318
5	O	-0.318
6	H	0.180
7	H	0.173
8	H	0.173
9	H	0.288
10	H	0.288

	x	y	z	Total
	-1.450	2.854	0.000	3.201
CHELPG
AIM
ESP

	x	y	z
x	6.157	0.356	0.000
y	0.356	5.968	0.000
z	0.000	0.000	5.968

<r²>	119.200
(<r²>)^1/2	10.918

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)