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	hartrees
Energy at 0K	-644.111917
Energy at 298.15K	-644.119365
HF Energy	-644.111917
Nuclear repulsion energy	272.163446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3415	3376	28.87
2	A'	3114	3079	0.08
3	A'	3007	2973	0.11
4	A'	1537	1519	36.48
5	A'	1403	1387	6.72
6	A'	1294	1279	11.51
7	A'	1069	1056	172.74
8	A'	947	936	19.05
9	A'	835	826	92.28
10	A'	677	670	69.93
11	A'	636	629	170.42
12	A'	456	450	36.74
13	A'	428	424	7.64
14	A'	271	267	4.78
15	A"	3524	3484	35.04
16	A"	3122	3086	0.15
17	A"	1403	1387	1.93
18	A"	1280	1265	234.93
19	A"	1044	1032	7.30
20	A"	933	922	0.70
21	A"	365	361	0.00
22	A"	307	303	2.10
23	A"	208	206	0.47
24	A"	155	153	42.74

Atom	x (Å)	y (Å)	z (Å)
C1	-1.701	-0.050	0.000
S2	0.109	-0.142	0.000
N3	0.538	1.528	0.000
O4	0.538	-0.714	1.303
O5	0.538	-0.714	-1.303
H6	-2.061	-1.086	0.000
H7	-2.021	0.478	0.905
H8	-2.021	0.478	-0.905
H9	1.091	1.716	0.840
H10	1.091	1.716	-0.840

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.8126	2.7393	2.6743	2.6743	1.0964	1.0952	1.0952	3.4085	3.4085
S2	1.8126		1.7243	1.4862	1.4862	2.3663	2.3959	2.3959	2.2630	2.2630
N3	2.7393	1.7243		2.5936	2.5936	3.6859	2.9105	2.9105	1.0230	1.0230
O4	2.6743	1.4862	2.5936		2.6054	2.9305	2.8508	3.5837	2.5352	3.2871
O5	2.6743	1.4862	2.5936	2.6054		2.9305	3.5837	2.8508	3.2871	2.5352
H6	1.0964	2.3663	3.6859	2.9305	2.9305		1.8066	1.8066	4.2996	4.2996
H7	1.0952	2.3959	2.9105	2.8508	3.5837	1.8066		1.8100	3.3496	3.7764
H8	1.0952	2.3959	2.9105	3.5837	2.8508	1.8066	1.8100		3.7764	3.3496
H9	3.4085	2.2630	1.0230	2.5352	3.2871	4.2996	3.3496	3.7764		1.6802
H10	3.4085	2.2630	1.0230	3.2871	2.5352	4.2996	3.7764	3.3496	1.6802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.488	C1	S2	O4	107.918
C1	S2	O5	107.918	S2	C1	H6	106.242
S2	C1	H7	108.429	S2	C1	H8	108.429
S2	N3	H9	108.193	S2	N3	H10	108.193
N3	S2	O4	107.546	N3	S2	O5	107.546
O4	S2	O5	122.457	H6	C1	H7	111.042
H6	C1	H8	111.042	H7	C1	H8	111.448
H9	N3	H10	110.418

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: PBEPBEultrafine/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	7.128	0.321	0.000
y	0.321	6.866	0.000
z	0.000	0.000	7.100

<r²>	124.856
(<r²>)^1/2	11.174

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)