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	hartrees
Energy at 0K	-644.082866
Energy at 298.15K	-644.090376
HF Energy	-644.082866
Nuclear repulsion energy	274.003862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3427	3391	21.95
2	A'	3111	3079	0.85
3	A'	3008	2976	0.82
4	A'	1603	1586	42.59
5	A'	1423	1408	7.89
6	A'	1318	1305	16.47
7	A'	1089	1078	179.18
8	A'	966	955	20.59
9	A'	858	849	102.06
10	A'	691	683	51.50
11	A'	639	632	208.32
12	A'	467	462	35.88
13	A'	441	436	7.01
14	A'	280	277	4.51
15	A"	3532	3496	26.44
16	A"	3120	3088	1.14
17	A"	1419	1405	3.30
18	A"	1309	1295	221.08
19	A"	1081	1070	5.10
20	A"	949	939	1.24
21	A"	377	373	0.33
22	A"	311	307	1.96
23	A"	216	213	0.07
24	A"	146	144	44.53

Atom	x (Å)	y (Å)	z (Å)
C1	-1.689	-0.045	0.000
S2	0.112	-0.143	0.000
N3	0.534	1.516	0.000
O4	0.534	-0.712	1.291
O5	0.534	-0.712	-1.291
H6	-2.061	-1.078	0.000
H7	-2.014	0.483	0.904
H8	-2.014	0.483	-0.904
H9	1.082	1.720	0.839
H10	1.082	1.720	-0.839

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.8039	2.7165	2.6556	2.6556	1.0973	1.0959	1.0959	3.3909	3.3909
S2	1.8039		1.7114	1.4722	1.4722	2.3656	2.3935	2.3935	2.2612	2.2612
N3	2.7165	1.7114		2.5745	2.5745	3.6687	2.8944	2.8944	1.0224	1.0224
O4	2.6556	1.4722	2.5745		2.5811	2.9210	2.8405	3.5685	2.5332	3.2782
O5	2.6556	1.4722	2.5745	2.5811		2.9210	3.5685	2.8405	3.2782	2.5332
H6	1.0973	2.3656	3.6687	2.9210	2.9210		1.8036	1.8036	4.2903	4.2903
H7	1.0959	2.3935	2.8944	2.8405	3.5685	1.8036		1.8077	3.3349	3.7621
H8	1.0959	2.3935	2.8944	3.5685	2.8405	1.8036	1.8077		3.7621	3.3349
H9	3.3909	2.2612	1.0224	2.5332	3.2782	4.2903	3.3349	3.7621		1.6774
H10	3.3909	2.2612	1.0224	3.2782	2.5332	4.2903	3.7621	3.3349	1.6774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.171	C1	S2	O4	107.878
C1	S2	O5	107.878	S2	C1	H6	106.700
S2	C1	H7	108.793	S2	C1	H8	108.793
S2	N3	H9	108.991	S2	N3	H10	108.991
N3	S2	O4	107.700	N3	S2	O5	107.700
O4	S2	O5	122.474	H6	C1	H7	110.646
H6	C1	H8	110.646	H7	C1	H8	111.126
H9	N3	H10	110.227

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: PBEPBEultrafine/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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Number	Element	Mulliken
1	C	-0.784
2	S	0.950
3	N	-0.833
4	O	-0.451
5	O	-0.451
6	H	0.278
7	H	0.268
8	H	0.268
9	H	0.377
10	H	0.377

	x	y	z	Total
	-1.550	3.008	0.000	3.384
CHELPG
AIM
ESP

	x	y	z
x	6.649	0.331	0.000
y	0.331	6.317	0.000
z	0.000	0.000	6.401

<r²>	123.493
(<r²>)^1/2	11.113

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)