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	hartrees
Energy at 0K	-644.500247
Energy at 298.15K	-644.507984
HF Energy	-644.500247
Nuclear repulsion energy	276.378411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3557	3393	42.93
2	A'	3203	3056	0.04
3	A'	3094	2952	0.04
4	A'	1596	1523	46.04
5	A'	1455	1388	7.14
6	A'	1359	1296	15.93
7	A'	1138	1085	192.56
8	A'	991	946	27.85
9	A'	876	836	122.31
10	A'	722	688	10.65
11	A'	670	639	233.33
12	A'	490	468	50.58
13	A'	463	442	12.11
14	A'	288	274	5.14
15	A"	3669	3500	51.93
16	A"	3212	3064	0.07
17	A"	1457	1390	1.31
18	A"	1352	1290	278.82
19	A"	1092	1042	3.41
20	A"	977	932	0.91
21	A"	392	374	0.01
22	A"	329	314	2.82
23	A"	219	209	1.47
24	A"	182	174	40.05

Atom	x (Å)	y (Å)	z (Å)
C1	-1.680	-0.064	0.000
S2	0.106	-0.134	0.000
N3	0.535	1.497	0.000
O4	0.535	-0.699	1.280
O5	0.535	-0.699	-1.280
H6	-2.028	-1.095	0.000
H7	-2.006	0.454	0.898
H8	-2.006	0.454	-0.898
H9	1.057	1.715	0.838
H10	1.057	1.715	-0.838

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7879	2.7097	2.6360	2.6360	1.0880	1.0866	1.0866	3.3707	3.3707
S2	1.7879		1.6859	1.4635	1.4635	2.3409	2.3697	2.3697	2.2418	2.2418
N3	2.7097	1.6859		2.5418	2.5418	3.6450	2.8898	2.8898	1.0112	1.0112
O4	2.6360	1.4635	2.5418		2.5600	2.8921	2.8170	3.5399	2.5098	3.2540
O5	2.6360	1.4635	2.5418	2.5600		2.8921	3.5399	2.8170	3.2540	2.5098
H6	1.0880	2.3409	3.6450	2.8921	2.8921		1.7905	1.7905	4.2567	4.2567
H7	1.0866	2.3697	2.8898	2.8170	3.5399	1.7905		1.7951	3.3136	3.7400
H8	1.0866	2.3697	2.8898	3.5399	2.8170	1.7905	1.7951		3.7400	3.3136
H9	3.3707	2.2418	1.0112	2.5098	3.2540	4.2567	3.3136	3.7400		1.6757
H10	3.3707	2.2418	1.0112	3.2540	2.5098	4.2567	3.7400	3.3136	1.6757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.489	C1	S2	O4	107.919
C1	S2	O5	107.919	S2	C1	H6	106.421
S2	C1	H7	108.582	S2	C1	H8	108.582
S2	N3	H9	109.906	S2	N3	H10	109.906
N3	S2	O4	107.413	N3	S2	O5	107.413
O4	S2	O5	122.001	H6	C1	H7	110.848
H6	C1	H8	110.848	H7	C1	H8	111.381
H9	N3	H10	111.898

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: mPW1PW91/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	-0.369
2	S	0.689
3	N	-0.523
4	O	-0.400
5	O	-0.400
6	H	0.167
7	H	0.153
8	H	0.153
9	H	0.265
10	H	0.265

	x	y	z	Total
	-1.781	3.114	0.000	3.587
CHELPG
AIM
ESP

<r²>	121.665
(<r²>)^1/2	11.030

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: mPW1PW91/TZVP

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)