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	hartrees
Energy at 0K	-644.532629
Energy at 298.15K	-644.540347
HF Energy	-644.532629
Nuclear repulsion energy	276.125139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3521	3402	30.02
2	A'	3171	3064	1.12
3	A'	3073	2970	0.99
4	A'	1652	1596	46.10
5	A'	1474	1424	7.67
6	A'	1379	1332	14.21
7	A'	1124	1086	196.26
8	A'	1007	973	22.04
9	A'	882	852	122.74
10	A'	709	685	25.52
11	A'	663	640	242.22
12	A'	487	470	44.15
13	A'	464	448	10.46
14	A'	292	282	4.69
15	A"	3624	3502	34.92
16	A"	3181	3074	1.56
17	A"	1472	1422	3.96
18	A"	1343	1297	247.15
19	A"	1119	1082	4.99
20	A"	991	957	0.73
21	A"	395	382	0.13
22	A"	326	315	2.75
23	A"	224	217	0.24
24	A"	174	168	43.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.685	-0.058	0.000
S2	0.111	-0.138	0.000
N3	0.534	1.501	0.000
O4	0.534	-0.703	1.276
O5	0.534	-0.703	-1.276
H6	-2.045	-1.087	0.000
H7	-2.013	0.462	0.897
H8	-2.013	0.462	-0.897
H9	1.061	1.727	0.837
H10	1.061	1.727	-0.837

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7977	2.7129	2.6403	2.6403	1.0894	1.0879	1.0879	3.3805	3.3805
S2	1.7977		1.6932	1.4587	1.4587	2.3553	2.3823	2.3823	2.2541	2.2541
N3	2.7129	1.6932		2.5471	2.5471	3.6540	2.8939	2.8939	1.0137	1.0137
O4	2.6403	1.4587	2.5471		2.5528	2.9036	2.8266	3.5456	2.5250	3.2629
O5	2.6403	1.4587	2.5471	2.5528		2.9036	3.5456	2.8266	3.2629	2.5250
H6	1.0894	2.3553	3.6540	2.9036	2.9036		1.7901	1.7901	4.2735	4.2735
H7	1.0879	2.3823	2.8939	2.8266	3.5456	1.7901		1.7949	3.3243	3.7489
H8	1.0879	2.3823	2.8939	3.5456	2.8266	1.7901	1.7949		3.7489	3.3243
H9	3.3805	2.2541	1.0137	2.5250	3.2629	4.2735	3.3243	3.7489		1.6731
H10	3.3805	2.2541	1.0137	3.2629	2.5250	4.2735	3.7489	3.3243	1.6731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.956	C1	S2	O4	107.900
C1	S2	O5	107.900	S2	C1	H6	106.757
S2	C1	H7	108.792	S2	C1	H8	108.792
S2	N3	H9	110.218	S2	N3	H10	110.218
N3	S2	O4	107.590	N3	S2	O5	107.590
O4	S2	O5	122.096	H6	C1	H7	110.604
H6	C1	H8	110.604	H7	C1	H8	111.158
H9	N3	H10	111.225

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B3LYP/6-311G*

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	-0.765
2	S	1.083
3	N	-0.859
4	O	-0.505
5	O	-0.505
6	H	0.271
7	H	0.260
8	H	0.260
9	H	0.380
10	H	0.380

	x	y	z	Total
	-1.727	3.199	0.000	3.635
CHELPG
AIM
ESP

	x	y	z
x	6.302	0.321	0.000
y	0.321	5.983	0.000
z	0.000	0.000	6.104

<r²>	122.193
(<r²>)^1/2	11.054

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)