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	hartrees
Energy at 0K	-644.111937
Energy at 298.15K	-644.119404
HF Energy	-644.111937
Nuclear repulsion energy	272.163575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3414	3376	28.92
2	A'	3115	3080	0.08
3	A'	3008	2974	0.11
4	A'	1538	1521	36.48
5	A'	1403	1387	6.76
6	A'	1296	1281	11.44
7	A'	1069	1057	172.97
8	A'	948	937	18.56
9	A'	836	827	92.55
10	A'	679	671	75.11
11	A'	637	630	165.66
12	A'	456	451	36.75
13	A'	429	424	7.58
14	A'	271	268	4.73
15	A"	3523	3483	35.04
16	A"	3122	3087	0.15
17	A"	1403	1388	1.90
18	A"	1280	1265	234.99
19	A"	1045	1033	7.37
20	A"	934	924	0.67
21	A"	366	362	0.01
22	A"	309	306	2.36
23	A"	209	207	0.50
24	A"	161	159	42.50

Atom	x (Å)	y (Å)	z (Å)
C1	-1.701	-0.051	0.000
S2	0.109	-0.142	0.000
N3	0.538	1.529	0.000
O4	0.538	-0.714	1.303
O5	0.538	-0.714	-1.303
H6	-2.060	-1.087	0.000
H7	-2.021	0.476	0.905
H8	-2.021	0.476	-0.905
H9	1.091	1.717	0.840
H10	1.091	1.717	-0.840

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.8124	2.7397	2.6738	2.6738	1.0964	1.0952	1.0952	3.4089	3.4089
S2	1.8124		1.7243	1.4862	1.4862	2.3660	2.3956	2.3956	2.2631	2.2631
N3	2.7397	1.7243		2.5938	2.5938	3.6861	2.9110	2.9110	1.0229	1.0229
O4	2.6738	1.4862	2.5938		2.6056	2.9298	2.8502	3.5833	2.5355	3.2873
O5	2.6738	1.4862	2.5938	2.6056		2.9298	3.5833	2.8502	3.2873	2.5355
H6	1.0964	2.3660	3.6861	2.9298	2.9298		1.8066	1.8066	4.2998	4.2998
H7	1.0952	2.3956	2.9110	2.8502	3.5833	1.8066		1.8101	3.3501	3.7769
H8	1.0952	2.3956	2.9110	3.5833	2.8502	1.8066	1.8101		3.7769	3.3501
H9	3.4089	2.2631	1.0229	2.5355	3.2873	4.2998	3.3501	3.7769		1.6802
H10	3.4089	2.2631	1.0229	3.2873	2.5355	4.2998	3.7769	3.3501	1.6802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.518	C1	S2	O4	107.900
C1	S2	O5	107.900	S2	C1	H6	106.234
S2	C1	H7	108.427	S2	C1	H8	108.427
S2	N3	H9	108.199	S2	N3	H10	108.199
N3	S2	O4	107.550	N3	S2	O5	107.550
O4	S2	O5	122.462	H6	C1	H7	111.042
H6	C1	H8	111.042	H7	C1	H8	111.459
H9	N3	H10	110.418

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: PBEPBE/TZVP

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	-0.372
2	S	0.563
3	N	-0.486
4	O	-0.345
5	O	-0.345
6	H	0.169
7	H	0.155
8	H	0.155
9	H	0.252
10	H	0.252

	x	y	z	Total
	-1.617	2.854	0.000	3.280
CHELPG
AIM
ESP

	x	y	z
x	7.126	0.322	0.000
y	0.322	6.867	0.000
z	0.000	0.000	7.100

<r²>	124.854
(<r²>)^1/2	11.174

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: PBEPBE/TZVP

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)