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	hartrees
Energy at 0K	-644.056505
Energy at 298.15K	-644.063313
HF Energy	-644.056505
Nuclear repulsion energy	256.839820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3493	3345	34.86
2	A'	3254	3117	0.98
3	A'	3117	2985	0.12
4	A'	1599	1531	39.12
5	A'	1481	1418	15.94
6	A'	1381	1323	3.67
7	A'	1035	991	23.44
8	A'	858	822	174.19
9	A'	832	797	18.37
10	A'	633	606	24.68
11	A'	531	509	194.00
12	A'	363	347	22.14
13	A'	328	314	33.44
14	A'	227	218	5.08
15	A"	3655	3500	44.25
16	A"	3261	3123	0.90
17	A"	1484	1421	14.67
18	A"	1139	1091	46.82
19	A"	1019	975	12.18
20	A"	929	890	28.48
21	A"	298	286	2.76
22	A"	243	233	12.81
23	A"	156	149	1.42
24	A"	151	144	43.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.560	1.674	0.000
S2	-0.107	-0.134	0.000
N3	1.693	-0.042	0.000
O4	-0.560	-0.789	1.422
O5	-0.560	-0.789	-1.422
H6	-1.649	1.719	0.000
H7	-0.132	2.103	0.903
H8	-0.132	2.103	-0.903
H9	2.054	-0.457	0.858
H10	2.054	-0.457	-0.858

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.8641	2.8323	2.8437	2.8437	1.0892	1.0881	1.0881	3.4798	3.4798
S2	1.8641		1.8023	1.6297	1.6297	2.4104	2.4130	2.4130	2.3472	2.3472
N3	2.8323	1.8023		2.7669	2.7669	3.7770	2.9576	2.9576	1.0188	1.0188
O4	2.8437	1.6297	2.7669		2.8441	3.0813	2.9690	3.7355	2.6948	3.4844
O5	2.8437	1.6297	2.7669	2.8441		3.0813	3.7355	2.9690	3.4844	2.6948
H6	1.0892	2.4104	3.7770	3.0813	3.0813		1.8068	1.8068	4.3791	4.3791
H7	1.0881	2.4130	2.9576	2.9690	3.7355	1.8068		1.8068	3.3662	3.7988
H8	1.0881	2.4130	2.9576	3.7355	2.9690	1.8068	1.8068		3.7988	3.3662
H9	3.4798	2.3472	1.0188	2.6948	3.4844	4.3791	3.3662	3.7988		1.7156
H10	3.4798	2.3472	1.0188	3.4844	2.6948	4.3791	3.7988	3.3662	1.7156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.142	C1	S2	O4	108.780
C1	S2	O5	108.780	S2	C1	H6	106.431
S2	C1	H7	106.669	S2	C1	H8	106.669
S2	N3	H9	109.457	S2	N3	H10	109.457
N3	S2	O4	107.349	N3	S2	O5	107.349
O4	S2	O5	121.525	H6	C1	H7	112.166
H6	C1	H8	112.166	H7	C1	H8	112.247
H9	N3	H10	114.695

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B3PW91/6-31G

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	-0.674
2	S	1.220
3	N	-0.856
4	O	-0.583
5	O	-0.583
6	H	0.252
7	H	0.247
8	H	0.247
9	H	0.366
10	H	0.366

	x	y	z	Total
	2.664	3.462	0.000	4.369
CHELPG
AIM
ESP

	x	y	z
x	6.708	-0.174	0.000
y	-0.174	6.139	0.000
z	0.000	0.000	6.945

<r²>	136.850
(<r²>)^1/2	11.698

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)