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	hartrees
Energy at 0K	-644.085530
Energy at 298.15K	-644.093341
HF Energy	-644.085530
Nuclear repulsion energy	280.205765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3565	3412	41.20
2	A'	3201	3063	0.12
3	A'	3089	2956	0.04
4	A'	1585	1517	39.65
5	A'	1447	1384	4.63
6	A'	1344	1287	22.06
7	A'	1197	1146	151.49
8	A'	979	937	43.70
9	A'	901	862	96.38
10	A'	749	717	16.44
11	A'	668	639	218.54
12	A'	510	488	46.97
13	A'	487	466	8.83
14	A'	297	284	4.82
15	A"	3679	3520	53.10
16	A"	3210	3072	0.32
17	A"	1453	1391	20.18
18	A"	1422	1361	200.49
19	A"	1092	1045	0.67
20	A"	960	919	1.92
21	A"	403	385	0.38
22	A"	333	318	2.44
23	A"	220	211	3.29
24	A"	188	179	30.47

Atom	x (Å)	y (Å)	z (Å)
C1	-1.661	-0.060	0.000
S2	0.109	-0.132	0.000
N3	0.526	1.476	0.000
O4	0.526	-0.691	1.256
O5	0.526	-0.691	-1.256
H6	-2.015	-1.093	0.000
H7	-1.993	0.458	0.899
H8	-1.993	0.458	-0.899
H9	1.056	1.687	0.837
H10	1.056	1.687	-0.837

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7714	2.6725	2.5995	2.5995	1.0915	1.0901	1.0901	3.3364	3.3364
S2	1.7714		1.6609	1.4366	1.4366	2.3317	2.3618	2.3618	2.2144	2.2144
N3	2.6725	1.6609		2.5047	2.5047	3.6134	2.8622	2.8622	1.0127	1.0127
O4	2.5995	1.4366	2.5047		2.5116	2.8630	2.7924	3.5091	2.4719	3.2117
O5	2.5995	1.4366	2.5047	2.5116		2.8630	3.5091	2.7924	3.2117	2.4719
H6	1.0915	2.3317	3.6134	2.8630	2.8630		1.7930	1.7930	4.2257	4.2257
H7	1.0901	2.3618	2.8622	2.7924	3.5091	1.7930		1.7983	3.2879	3.7176
H8	1.0901	2.3618	2.8622	3.5091	2.7924	1.7930	1.7983		3.7176	3.2879
H9	3.3364	2.2144	1.0127	2.4719	3.2117	4.2257	3.2879	3.7176		1.6740
H10	3.3364	2.2144	1.0127	3.2117	2.4719	4.2257	3.7176	3.2879	1.6740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.225	C1	S2	O4	107.799
C1	S2	O5	107.799	S2	C1	H6	106.640
S2	C1	H7	108.917	S2	C1	H8	108.917
S2	N3	H9	109.436	S2	N3	H10	109.436
N3	S2	O4	107.705	N3	S2	O5	107.705
O4	S2	O5	121.888	H6	C1	H7	110.547
H6	C1	H8	110.547	H7	C1	H8	111.141
H9	N3	H10	111.487

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: PBE1PBE/6-31G(2df,p)

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	-0.521
2	S	0.532
3	N	-0.561
4	O	-0.310
5	O	-0.310
6	H	0.197
7	H	0.188
8	H	0.188
9	H	0.298
10	H	0.298

	x	y	z	Total
	-1.457	2.900	0.000	3.245
CHELPG
AIM
ESP

	x	y	z
x	6.151	0.359	0.000
y	0.359	5.938	0.000
z	0.000	0.000	5.913

<r²>	118.231
(<r²>)^1/2	10.873

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)