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	hartrees
Energy at 0K	-642.564661
Energy at 298.15K	-642.572861
HF Energy	-642.564661
Nuclear repulsion energy	283.057773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3754	3418	56.72
2	A'	3296	3000	1.39
3	A'	3201	2914	0.88
4	A'	1728	1574	51.25
5	A'	1575	1434	5.07
6	A'	1497	1363	15.26
7	A'	1275	1160	213.87
8	A'	1082	985	41.25
9	A'	973	885	136.69
10	A'	812	740	26.01
11	A'	686	625	216.52
12	A'	556	506	71.88
13	A'	541	493	12.50
14	A'	325	296	5.55
15	A"	3864	3518	76.71
16	A"	3305	3009	2.15
17	A"	1577	1436	0.22
18	A"	1488	1354	338.88
19	A"	1190	1083	1.20
20	A"	1067	971	0.68
21	A"	446	406	0.05
22	A"	368	335	2.95
23	A"	251	229	2.23
24	A"	201	183	30.36

Atom	x (Å)	y (Å)	z (Å)
C1	-1.658	-0.082	0.000
S2	0.106	-0.123	0.000
N3	0.531	1.458	0.000
O4	0.531	-0.683	1.233
O5	0.531	-0.683	-1.233
H6	-1.992	-1.109	0.000
H7	-1.994	0.427	0.890
H8	-1.994	0.427	-0.890
H9	1.012	1.718	0.833
H10	1.012	1.718	-0.833

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7642	2.6755	2.5828	2.5828	1.0800	1.0786	1.0786	3.3252	3.3252
S2	1.7642		1.6367	1.4192	1.4192	2.3180	2.3459	2.3459	2.2140	2.2140
N3	2.6755	1.6367		2.4703	2.4703	3.5985	2.8685	2.8685	0.9964	0.9964
O4	2.5828	1.4192	2.4703		2.4659	2.8398	2.7788	3.4801	2.4808	3.2034
O5	2.5828	1.4192	2.4703	2.4659		2.8398	3.4801	2.7788	3.2034	2.4808
H6	1.0800	2.3180	3.5985	2.8398	2.8398		1.7746	1.7746	4.2076	4.2076
H7	1.0786	2.3459	2.8685	2.7788	3.4801	1.7746		1.7801	3.2716	3.6972
H8	1.0786	2.3459	2.8685	3.4801	2.7788	1.7746	1.7801		3.6972	3.2716
H9	3.3252	2.2140	0.9964	2.4808	3.2034	4.2076	3.2716	3.6972		1.6658
H10	3.3252	2.2140	0.9964	3.2034	2.4808	4.2076	3.6972	3.2716	1.6658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	103.697	C1	S2	O4	107.961
C1	S2	O5	107.961	S2	C1	H6	106.684
S2	C1	H7	108.816	S2	C1	H8	108.816
S2	N3	H9	112.159	S2	N3	H10	112.159
N3	S2	O4	107.666	N3	S2	O5	107.666
O4	S2	O5	120.629	H6	C1	H7	110.586
H6	C1	H8	110.586	H7	C1	H8	111.214
H9	N3	H10	113.424

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: HF/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	-0.977
2	S	2.157
3	N	-0.527
4	O	-0.943
5	O	-0.943
6	H	0.322
7	H	0.318
8	H	0.318
9	H	0.137
10	H	0.137

	x	y	z	Total
	-2.009	3.423	0.000	3.969
CHELPG
AIM
ESP

	x	y	z
x	6.662	0.226	0.000
y	0.226	6.350	0.000
z	0.000	0.000	6.262

<r²>	117.406
(<r²>)^1/2	10.835

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)