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	hartrees
Energy at 0K	-640.802948
Energy at 298.15K	-640.810378
HF Energy	-640.802948
Nuclear repulsion energy	274.872010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3403	3245	27.50
2	A'	3095	2951	2.81
3	A'	3006	2866	1.69
4	A'	1577	1504	52.44
5	A'	1478	1410	7.82
6	A'	1381	1317	16.33
7	A'	1131	1078	153.36
8	A'	995	948	30.92
9	A'	875	834	185.73
10	A'	712	679	40.59
11	A'	483	461	58.61
12	A'	452	431	28.80
13	A'	367	350	245.72
14	A'	286	273	1.09
15	A"	3537	3373	36.63
16	A"	3106	2961	3.11
17	A"	1481	1412	2.78
18	A"	1372	1308	176.67
19	A"	1021	973	4.42
20	A"	965	921	0.14
21	A"	404	385	1.86
22	A"	317	303	1.53
23	A"	242	231	0.01
24	A"	149	142	13.50

Atom	x (Å)	y (Å)	z (Å)
C1	-1.674	-0.050	0.000
S2	0.119	-0.139	0.000
N3	0.541	1.471	0.000
O4	0.541	-0.711	1.294
O5	0.541	-0.711	-1.294
H6	-2.073	-1.078	0.000
H7	-2.019	0.478	0.901
H8	-2.019	0.478	-0.901
H9	0.901	1.864	0.875
H10	0.901	1.864	-0.875

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7950	2.6866	2.6483	2.6483	1.1024	1.1007	1.1007	3.3262	3.3262
S2	1.7950		1.6644	1.4755	1.4755	2.3850	2.4017	2.4017	2.3224	2.3224
N3	2.6866	1.6644		2.5359	2.5359	3.6509	2.8902	2.8902	1.0252	1.0252
O4	2.6483	1.4755	2.5359		2.5871	2.9399	2.8501	3.5759	2.6335	3.3859
O5	2.6483	1.4755	2.5359	2.5871		2.9399	3.5759	2.8501	3.3859	2.6335
H6	1.1024	2.3850	3.6509	2.9399	2.9399		1.7990	1.7990	4.2746	4.2746
H7	1.1007	2.4017	2.8902	2.8501	3.5759	1.7990		1.8028	3.2333	3.6892
H8	1.1007	2.4017	2.8902	3.5759	2.8501	1.7990	1.8028		3.6892	3.2333
H9	3.3262	2.3224	1.0252	2.6335	3.3859	4.2746	3.2333	3.6892		1.7505
H10	3.3262	2.3224	1.0252	3.3859	2.6335	4.2746	3.6892	3.2333	1.7505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.834	C1	S2	O4	107.739
C1	S2	O5	107.739	S2	C1	H6	108.424
S2	C1	H7	109.737	S2	C1	H8	109.737
S2	N3	H9	117.431	S2	N3	H10	117.431
N3	S2	O4	107.576	N3	S2	O5	107.576
O4	S2	O5	122.481	H6	C1	H7	109.485
H6	C1	H8	109.485	H7	C1	H8	109.949
H9	N3	H10	117.236

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: PBEPBE/3-21G*

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	-0.866
2	S	1.152
3	N	-0.797
4	O	-0.439
5	O	-0.439
6	H	0.249
7	H	0.242
8	H	0.242
9	H	0.328
10	H	0.328

	x	y	z	Total
	-1.415	3.482	0.000	3.759
CHELPG
AIM
ESP

	x	y	z
x	5.071	0.382	0.000
y	0.382	5.300	0.000
z	0.000	0.000	5.475

<r²>	122.049
(<r²>)^1/2	11.048

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: PBEPBE/3-21G*

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)