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	hartrees
Energy at 0K	-644.189192
Energy at 298.15K	-644.196914
HF Energy	-643.890849
Nuclear repulsion energy	274.873162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3528	3367	37.86
2	A'	3204	3057	0.13
3	A'	3096	2955	0.30
4	A'	1601	1528	41.33
5	A'	1471	1404	6.37
6	A'	1375	1312	8.99
7	A'	1108	1058	184.91
8	A'	1000	954	19.32
9	A'	874	834	110.30
10	A'	712	680	47.23
11	A'	682	651	196.80
12	A'	482	460	47.83
13	A'	454	433	12.44
14	A'	287	274	4.97
15	A"	3638	3472	46.77
16	A"	3212	3065	0.26
17	A"	1472	1405	2.45
18	A"	1322	1262	252.04
19	A"	1094	1044	7.16
20	A"	988	943	0.32
21	A"	390	372	0.07
22	A"	326	311	2.94
23	A"	223	213	2.78
24	A"	181	173	40.77

Atom	x (Å)	y (Å)	z (Å)
C1	-1.689	-0.058	0.000
S2	0.107	-0.138	0.000
N3	0.537	1.506	0.000
O4	0.537	-0.704	1.289
O5	0.537	-0.704	-1.289
H6	-2.042	-1.087	0.000
H7	-2.009	0.463	0.897
H8	-2.009	0.463	-0.897
H9	1.068	1.716	0.837
H10	1.068	1.716	-0.837

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7981	2.7210	2.6520	2.6520	1.0869	1.0856	1.0856	3.3838	3.3838
S2	1.7981		1.6993	1.4720	1.4720	2.3492	2.3757	2.3757	2.2492	2.2492
N3	2.7210	1.6993		2.5588	2.5588	3.6570	2.8942	2.8942	1.0130	1.0130
O4	2.6520	1.4720	2.5588		2.5779	2.9082	2.8279	3.5527	2.5185	3.2645
O5	2.6520	1.4720	2.5588	2.5779		2.9082	3.5527	2.8279	3.2645	2.5185
H6	1.0869	2.3492	3.6570	2.9082	2.9082		1.7904	1.7904	4.2691	4.2691
H7	1.0856	2.3757	2.8942	2.8279	3.5527	1.7904		1.7941	3.3231	3.7478
H8	1.0856	2.3757	2.8942	3.5527	2.8279	1.7904	1.7941		3.7478	3.3231
H9	3.3838	2.2492	1.0130	2.5185	3.2645	4.2691	3.3231	3.7478		1.6737
H10	3.3838	2.2492	1.0130	3.2645	2.5185	4.2691	3.7478	3.3231	1.6737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.124	C1	S2	O4	107.972
C1	S2	O5	107.972	S2	C1	H6	106.413
S2	C1	H7	108.399	S2	C1	H8	108.399
S2	N3	H9	109.429	S2	N3	H10	109.429
N3	S2	O4	107.366	N3	S2	O5	107.366
O4	S2	O5	122.240	H6	C1	H7	110.996
H6	C1	H8	110.996	H7	C1	H8	111.439
H9	N3	H10	111.392

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B2PLYP/TZVP

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	-0.341
2	S	0.723
3	N	-0.520
4	O	-0.404
5	O	-0.404
6	H	0.155
7	H	0.141
8	H	0.141
9	H	0.254
10	H	0.254

	x	y	z	Total
	-1.762	3.012	0.000	3.490
CHELPG
AIM
ESP

	x	y	z
x	6.688	0.272	0.000
y	0.272	6.451	0.000
z	0.000	0.000	6.777

<r²>	123.105
(<r²>)^1/2	11.095

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B2PLYP/TZVP

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)