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	hartrees
Energy at 0K	-644.402482
Energy at 298.15K	-644.410154
HF Energy	-644.402482
Nuclear repulsion energy	275.283325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3512	3366	34.44
2	A'	3220	3085	0.12
3	A'	3095	2966	0.13
4	A'	1571	1506	30.06
5	A'	1427	1368	6.79
6	A'	1323	1268	15.16
7	A'	1132	1085	181.24
8	A'	970	930	28.33
9	A'	892	855	87.94
10	A'	730	700	110.18
11	A'	710	680	118.89
12	A'	482	462	52.12
13	A'	458	439	15.21
14	A'	288	276	4.97
15	A"	3623	3472	47.66
16	A"	3228	3094	0.00
17	A"	1430	1370	0.75
18	A"	1347	1290	223.26
19	A"	1095	1049	7.93
20	A"	952	913	1.21
21	A"	380	364	0.09
22	A"	314	301	2.49
23	A"	212	203	0.51
24	A"	167	160	43.39

Atom	x (Å)	y (Å)	z (Å)
C1	-1.677	-0.043	0.000
S2	0.105	-0.136	0.000
N3	0.531	1.507	0.000
O4	0.531	-0.709	1.288
O5	0.531	-0.709	-1.288
H6	-2.040	-1.078	0.000
H7	-1.999	0.482	0.905
H8	-1.999	0.482	-0.905
H9	1.101	1.666	0.832
H10	1.101	1.666	-0.832

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7848	2.6989	2.6421	2.6421	1.0963	1.0950	1.0950	3.3663	3.3663
S2	1.7848		1.6976	1.4727	1.4727	2.3430	2.3720	2.3720	2.2204	2.2204
N3	2.6989	1.6976		2.5632	2.5632	3.6466	2.8761	2.8761	1.0207	1.0207
O4	2.6421	1.4727	2.5632		2.5758	2.8998	2.8223	3.5538	2.4840	3.2339
O5	2.6421	1.4727	2.5632	2.5758		2.8998	3.5538	2.8223	3.2339	2.4840
H6	1.0963	2.3430	3.6466	2.8998	2.8998		1.8042	1.8042	4.2528	4.2528
H7	1.0950	2.3720	2.8761	2.8223	3.5538	1.8042		1.8108	3.3184	3.7451
H8	1.0950	2.3720	2.8761	3.5538	2.8223	1.8042	1.8108		3.7451	3.3184
H9	3.3663	2.2204	1.0207	2.4840	3.2339	4.2528	3.3184	3.7451		1.6646
H10	3.3663	2.2204	1.0207	3.2339	2.4840	4.2528	3.7451	3.3184	1.6646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.584	C1	S2	O4	108.020
C1	S2	O5	108.020	S2	C1	H6	106.359
S2	C1	H7	108.526	S2	C1	H8	108.526
S2	N3	H9	106.884	S2	N3	H10	106.884
N3	S2	O4	107.687	N3	S2	O5	107.687
O4	S2	O5	121.973	H6	C1	H7	110.843
H6	C1	H8	110.843	H7	C1	H8	111.551
H9	N3	H10	109.257

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: mPW1PW91/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	-0.167
2	S	0.829
3	N	-0.304
4	O	-0.465
5	O	-0.465
6	H	0.102
7	H	0.092
8	H	0.092
9	H	0.143
10	H	0.143

	x	y	z	Total
	-1.573	2.834	0.000	3.242
CHELPG
AIM
ESP

	x	y	z
x	6.008	0.392	0.000
y	0.392	5.737	0.000
z	0.000	0.000	5.935

<r²>	121.709
(<r²>)^1/2	11.032

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)