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	hartrees
Energy at 0K	-644.446575
Energy at 298.15K	-644.454388
HF Energy	-644.446575
Nuclear repulsion energy	280.213517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3571	3409	40.68
2	A'	3205	3060	0.20
3	A'	3094	2953	0.10
4	A'	1590	1518	39.12
5	A'	1454	1388	4.59
6	A'	1351	1289	20.03
7	A'	1196	1142	153.28
8	A'	983	938	41.29
9	A'	900	859	99.84
10	A'	746	712	16.35
11	A'	665	635	219.74
12	A'	510	487	46.36
13	A'	487	465	8.57
14	A'	297	284	4.73
15	A"	3684	3517	52.51
16	A"	3214	3069	0.47
17	A"	1459	1392	10.09
18	A"	1423	1358	212.36
19	A"	1094	1044	0.66
20	A"	964	920	1.81
21	A"	403	385	0.36
22	A"	333	318	2.49
23	A"	220	210	3.32
24	A"	188	179	30.25

Atom	x (Å)	y (Å)	z (Å)
C1	-1.662	-0.061	0.000
S2	0.110	-0.132	0.000
N3	0.527	1.476	0.000
O4	0.527	-0.691	1.255
O5	0.527	-0.691	-1.255
H6	-2.016	-1.092	0.000
H7	-1.994	0.457	0.898
H8	-1.994	0.457	-0.898
H9	1.054	1.690	0.836
H10	1.054	1.690	-0.836

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7728	2.6742	2.6003	2.6003	1.0901	1.0887	1.0887	3.3375	3.3375
S2	1.7728		1.6612	1.4360	1.4360	2.3322	2.3622	2.3622	2.2160	2.2160
N3	2.6742	1.6612		2.5045	2.5045	3.6137	2.8636	2.8636	1.0115	1.0115
O4	2.6003	1.4360	2.5045		2.5105	2.8635	2.7930	3.5085	2.4747	3.2131
O5	2.6003	1.4360	2.5045	2.5105		2.8635	3.5085	2.7930	3.2131	2.4747
H6	1.0901	2.3322	3.6137	2.8635	2.8635		1.7906	1.7906	4.2263	4.2263
H7	1.0887	2.3622	2.8636	2.7930	3.5085	1.7906		1.7959	3.2885	3.7173
H8	1.0887	2.3622	2.8636	3.5085	2.7930	1.7906	1.7959		3.7173	3.2885
H9	3.3375	2.2160	1.0115	2.4747	3.2131	4.2263	3.2885	3.7173		1.6729
H10	3.3375	2.2160	1.0115	3.2131	2.4747	4.2263	3.7173	3.2885	1.6729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.245	C1	S2	O4	107.798
C1	S2	O5	107.798	S2	C1	H6	106.657
S2	C1	H7	108.923	S2	C1	H8	108.923
S2	N3	H9	109.616	S2	N3	H10	109.616
N3	S2	O4	107.705	N3	S2	O5	107.705
O4	S2	O5	121.876	H6	C1	H7	110.538
H6	C1	H8	110.538	H7	C1	H8	111.132
H9	N3	H10	111.567

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: mPW1PW91/6-31G(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	-0.523
2	S	0.539
3	N	-0.563
4	O	-0.313
5	O	-0.313
6	H	0.197
7	H	0.189
8	H	0.189
9	H	0.299
10	H	0.299

	x	y	z	Total
	-1.473	2.913	0.000	3.264
CHELPG
AIM
ESP

	x	y	z
x	6.137	0.356	0.000
y	0.356	5.926	0.000
z	0.000	0.000	5.899

<r²>	118.221
(<r²>)^1/2	10.873

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)