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	hartrees
Energy at 0K	-644.532613
Energy at 298.15K	-644.540314
HF Energy	-644.532613
Nuclear repulsion energy	276.124078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3521	3402	29.99
2	A'	3170	3063	1.12
3	A'	3072	2969	1.00
4	A'	1651	1596	46.16
5	A'	1474	1424	7.63
6	A'	1377	1331	14.31
7	A'	1124	1086	196.11
8	A'	1005	972	22.53
9	A'	881	851	122.49
10	A'	708	684	23.67
11	A'	661	639	243.78
12	A'	487	470	44.07
13	A'	464	448	10.67
14	A'	292	282	4.75
15	A"	3624	3502	34.92
16	A"	3180	3073	1.55
17	A"	1471	1421	3.98
18	A"	1343	1298	247.22
19	A"	1119	1081	4.89
20	A"	990	956	0.75
21	A"	395	381	0.09
22	A"	325	314	2.58
23	A"	221	214	0.30
24	A"	169	163	43.11

Atom	x (Å)	y (Å)	z (Å)
C1	-1.685	-0.057	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	-2.046	-1.085	0.000
H7	-2.013	0.463	0.897
H8	-2.013	0.463	-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		1.7978	2.7123	2.6407	2.6407	1.0894	1.0879	1.0879	3.3799	3.3799
S2	1.7978		1.6932	1.4587	1.4587	2.3556	2.3824	2.3824	2.2541	2.2541
N3	2.7123	1.6932		2.5470	2.5470	3.6537	2.8933	2.8933	1.0137	1.0137
O4	2.6407	1.4587	2.5470		2.5527	2.9043	2.8271	3.5459	2.5249	3.2629
O5	2.6407	1.4587	2.5470	2.5527		2.9043	3.5459	2.8271	3.2629	2.5249
H6	1.0894	2.3556	3.6537	2.9043	2.9043		1.7901	1.7901	4.2733	4.2733
H7	1.0879	2.3824	2.8933	2.8271	3.5459	1.7901		1.7948	3.3236	3.7482
H8	1.0879	2.3824	2.8933	3.5459	2.8271	1.7901	1.7948		3.7482	3.3236
H9	3.3799	2.2541	1.0137	2.5249	3.2629	4.2733	3.3236	3.7482		1.6732
H10	3.3799	2.2541	1.0137	3.2629	2.5249	4.2733	3.7482	3.3236	1.6732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.923	C1	S2	O4	107.918
C1	S2	O5	107.918	S2	C1	H6	106.769
S2	C1	H7	108.793	S2	C1	H8	108.793
S2	N3	H9	110.221	S2	N3	H10	110.221
N3	S2	O4	107.588	N3	S2	O5	107.588
O4	S2	O5	122.089	H6	C1	H7	110.602
H6	C1	H8	110.602	H7	C1	H8	111.147
H9	N3	H10	111.231

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B3LYPultrafine/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	3.636
CHELPG
AIM
ESP

	x	y	z
x	6.303	0.319	0.000
y	0.319	5.982	0.000
z	0.000	0.000	6.104

<r²>	122.194
(<r²>)^1/2	11.054

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)