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	hartrees
Energy at 0K	-644.542044
Energy at 298.15K	-644.549850
HF Energy	-644.542044
Nuclear repulsion energy	279.802360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3554	3402	41.20
2	A'	3196	3059	0.15
3	A'	3091	2958	0.07
4	A'	1584	1516	38.84
5	A'	1453	1390	5.33
6	A'	1347	1289	20.52
7	A'	1183	1133	165.66
8	A'	984	941	37.72
9	A'	892	854	110.72
10	A'	741	709	15.59
11	A'	661	633	215.58
12	A'	504	482	48.10
13	A'	481	460	11.44
14	A'	292	280	4.52
15	A"	3665	3508	52.71
16	A"	3205	3068	0.34
17	A"	1456	1394	0.45
18	A"	1401	1341	245.45
19	A"	1091	1044	1.39
20	A"	966	925	1.21
21	A"	398	381	0.12
22	A"	331	317	2.92
23	A"	222	213	2.72
24	A"	187	179	30.71

Atom	x (Å)	y (Å)	z (Å)
C1	-1.663	-0.065	0.000
S2	0.106	-0.130	0.000
N3	0.529	1.478	0.000
O4	0.529	-0.692	1.259
O5	0.529	-0.692	-1.259
H6	-2.008	-1.094	0.000
H7	-1.991	0.450	0.895
H8	-1.991	0.450	-0.895
H9	1.051	1.695	0.836
H10	1.051	1.695	-0.836

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7703	2.6803	2.6039	2.6039	1.0854	1.0840	1.0840	3.3406	3.3406
S2	1.7703		1.6625	1.4419	1.4419	2.3236	2.3529	2.3529	2.2182	2.2182
N3	2.6803	1.6625		2.5091	2.5091	3.6125	2.8645	2.8645	1.0092	1.0092
O4	2.6039	1.4419	2.5091		2.5173	2.8598	2.7903	3.5062	2.4801	3.2186
O5	2.6039	1.4419	2.5091	2.5173		2.8598	3.5062	2.7903	3.2186	2.4801
H6	1.0854	2.3236	3.6125	2.8598	2.8598		1.7855	1.7855	4.2228	4.2228
H7	1.0840	2.3529	2.8645	2.7903	3.5062	1.7855		1.7907	3.2869	3.7145
H8	1.0840	2.3529	2.8645	3.5062	2.7903	1.7855	1.7907		3.7145	3.2869
H9	3.3406	2.2182	1.0092	2.4801	3.2186	4.2228	3.2869	3.7145		1.6719
H10	3.3406	2.2182	1.0092	3.2186	2.4801	4.2228	3.7145	3.2869	1.6719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.619	C1	S2	O4	107.878
C1	S2	O5	107.878	S2	C1	H6	106.429
S2	C1	H7	108.652	S2	C1	H8	108.652
S2	N3	H9	109.827	S2	N3	H10	109.827
N3	S2	O4	107.636	N3	S2	O5	107.636
O4	S2	O5	121.596	H6	C1	H7	110.778
H6	C1	H8	110.778	H7	C1	H8	111.380
H9	N3	H10	111.861

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B1B95/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	-0.336
2	S	0.807
3	N	-0.355
4	O	-0.445
5	O	-0.445
6	H	0.140
7	H	0.136
8	H	0.136
9	H	0.180
10	H	0.180

	x	y	z	Total
	-1.647	3.020	0.000	3.439
CHELPG
AIM
ESP

	x	y	z
x	6.690	0.329	0.000
y	0.329	6.361	0.000
z	0.000	0.000	6.396

<r²>	118.876
(<r²>)^1/2	10.903

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)