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	hartrees
Energy at 0K	-644.505802
Energy at 298.15K	-644.513289
HF Energy	-644.505802
Nuclear repulsion energy	272.363925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3445	3332	22.19
2	A'	3181	3077	0.58
3	A'	3063	2963	0.72
4	A'	1564	1513	25.54
5	A'	1439	1392	4.72
6	A'	1317	1274	6.19
7	A'	1073	1038	158.45
8	A'	963	932	15.64
9	A'	876	847	60.46
10	A'	707	684	121.42
11	A'	660	638	80.85
12	A'	455	440	41.44
13	A'	428	414	9.68
14	A'	268	260	5.09
15	A"	3553	3437	33.05
16	A"	3187	3083	0.91
17	A"	1439	1392	2.25
18	A"	1273	1231	221.18
19	A"	1077	1041	14.80
20	A"	949	918	0.39
21	A"	354	342	0.06
22	A"	301	291	3.18
23	A"	196	189	5.96
24	A"	165	160	31.22

Atom	x (Å)	y (Å)	z (Å)
C1	-1.698	-0.044	0.000
S2	0.105	-0.139	0.000
N3	0.538	1.527	0.000
O4	0.538	-0.716	1.304
O5	0.538	-0.716	-1.304
H6	-2.052	-1.081	0.000
H7	-2.006	0.485	0.907
H8	-2.006	0.485	-0.907
H9	1.106	1.686	0.834
H10	1.106	1.686	-0.834

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.8047	2.7324	2.6734	2.6734	1.0952	1.0942	1.0942	3.3987	3.3987
S2	1.8047		1.7213	1.4901	1.4901	2.3533	2.3799	2.3799	2.2423	2.2423
N3	2.7324	1.7213		2.5947	2.5947	3.6751	2.8943	2.8943	1.0221	1.0221
O4	2.6734	1.4901	2.5947		2.6071	2.9220	2.8404	3.5772	2.5126	3.2655
O5	2.6734	1.4901	2.5947	2.6071		2.9220	3.5772	2.8404	3.2655	2.5126
H6	1.0952	2.3533	3.6751	2.9220	2.9220		1.8097	1.8097	4.2805	4.2805
H7	1.0942	2.3799	2.8943	2.8404	3.5772	1.8097		1.8139	3.3362	3.7627
H8	1.0942	2.3799	2.8943	3.5772	2.8404	1.8097	1.8139		3.7627	3.3362
H9	3.3987	2.2423	1.0221	2.5126	3.2655	4.2805	3.3362	3.7627		1.6688
H10	3.3987	2.2423	1.0221	3.2655	2.5126	4.2805	3.7627	3.3362	1.6688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.575	C1	S2	O4	108.090
C1	S2	O5	108.090	S2	C1	H6	105.883
S2	C1	H7	107.836	S2	C1	H8	107.836
S2	N3	H9	106.863	S2	N3	H10	106.863
N3	S2	O4	107.578	N3	S2	O5	107.578
O4	S2	O5	122.044	H6	C1	H7	111.500
H6	C1	H8	111.500	H7	C1	H8	111.961
H9	N3	H10	109.448

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: TPSSh/aug-cc-pVDZ

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	0.242
2	S	1.751
3	N	-0.383
4	O	-0.826
5	O	-0.826
6	H	0.003
7	H	-0.033
8	H	-0.033
9	H	0.053
10	H	0.053

	x	y	z	Total
	-1.829	2.849	0.000	3.386
CHELPG
AIM
ESP

	x	y	z
x	8.064	0.259	0.000
y	0.259	7.725	0.000
z	0.000	0.000	7.637

<r²>	124.442
(<r²>)^1/2	11.155

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)