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	hartrees
Energy at 0K	-644.438343
Energy at 298.15K	-644.446010
HF Energy	-644.438343
Nuclear repulsion energy	275.217610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3494	3347	30.60
2	A'	3189	3055	0.53
3	A'	3090	2960	0.26
4	A'	1625	1557	38.71
5	A'	1485	1423	6.33
6	A'	1385	1327	9.55
7	A'	1135	1088	178.88
8	A'	1007	965	22.51
9	A'	894	856	109.14
10	A'	720	690	65.49
11	A'	682	654	199.07
12	A'	485	464	35.25
13	A'	463	444	19.43
14	A'	287	275	4.88
15	A"	3602	3451	37.61
16	A"	3198	3064	0.83
17	A"	1485	1423	2.41
18	A"	1357	1300	222.99
19	A"	1110	1063	4.40
20	A"	994	952	1.12
21	A"	390	373	0.03
22	A"	318	305	3.06
23	A"	223	214	0.64
24	A"	162	155	46.65

Atom	x (Å)	y (Å)	z (Å)
C1	-1.688	-0.052	0.000
S2	0.109	-0.138	0.000
N3	0.535	1.509	0.000
O4	0.535	-0.707	1.281
O5	0.535	-0.707	-1.281
H6	-2.055	-1.081	0.000
H7	-2.016	0.471	0.899
H8	-2.016	0.471	-0.899
H9	1.080	1.709	0.837
H10	1.080	1.709	-0.837

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7987	2.7159	2.6478	2.6478	1.0924	1.0910	1.0910	3.3854	3.3854
S2	1.7987		1.7008	1.4654	1.4654	2.3608	2.3865	2.3865	2.2482	2.2482
N3	2.7159	1.7008		2.5596	2.5596	3.6626	2.8967	2.8967	1.0185	1.0185
O4	2.6478	1.4654	2.5596		2.5628	2.9139	2.8360	3.5567	2.5165	3.2592
O5	2.6478	1.4654	2.5596	2.5628		2.9139	3.5567	2.8360	3.2592	2.5165
H6	1.0924	2.3608	3.6626	2.9139	2.9139		1.7943	1.7943	4.2793	4.2793
H7	1.0910	2.3865	2.8967	2.8360	3.5567	1.7943		1.7978	3.3346	3.7588
H8	1.0910	2.3865	2.8967	3.5567	2.8360	1.7943	1.7978		3.7588	3.3346
H9	3.3854	2.2482	1.0185	2.5165	3.2592	4.2793	3.3346	3.7588		1.6737
H10	3.3854	2.2482	1.0185	3.2592	2.5165	4.2793	3.7588	3.3346	1.6737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.767	C1	S2	O4	107.988
C1	S2	O5	107.988	S2	C1	H6	106.934
S2	C1	H7	108.880	S2	C1	H8	108.880
S2	N3	H9	108.939	S2	N3	H10	108.939
N3	S2	O4	107.653	N3	S2	O5	107.653
O4	S2	O5	121.964	H6	C1	H7	110.532
H6	C1	H8	110.532	H7	C1	H8	110.967
H9	N3	H10	110.503

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B3LYPultrafine/6-31G*

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	-0.611
2	S	1.144
3	N	-0.827
4	O	-0.526
5	O	-0.526
6	H	0.214
7	H	0.207
8	H	0.207
9	H	0.358
10	H	0.358

	x	y	z	Total
	-1.534	2.922	0.000	3.300
CHELPG
AIM
ESP

	x	y	z
x	5.826	0.368	0.000
y	0.368	5.721	0.000
z	0.000	0.000	5.842

<r²>	122.230
(<r²>)^1/2	11.056

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)