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	hartrees
Energy at 0K	-643.767315
Energy at 298.15K	-643.773870
HF Energy	-643.767315
Nuclear repulsion energy	253.125096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3271	16.48
2	A'	3183	3139	0.33
3	A'	3045	3003	0.20
4	A'	1546	1525	28.71
5	A'	1439	1419	13.62
6	A'	1321	1303	3.00
7	A'	988	974	20.64
8	A'	866	854	136.06
9	A'	826	815	14.87
10	A'	601	593	52.31
11	A'	490	484	127.59
12	A'	346	341	17.86
13	A'	303	299	22.66
14	A'	212	209	5.29
15	A"	3475	3427	17.13
16	A"	3188	3144	0.46
17	A"	1439	1419	12.70
18	A"	1098	1083	45.93
19	A"	974	960	18.07
20	A"	907	895	28.77
21	A"	274	270	2.53
22	A"	224	221	12.77
23	A"	142	140	12.15
24	A"	137	136	39.22

Atom	x (Å)	y (Å)	z (Å)
C1	-0.569	1.693	0.000
S2	-0.120	-0.145	0.000
N3	1.746	0.008	0.000
O4	-0.569	-0.806	1.433
O5	-0.569	-0.806	-1.433
H6	-1.665	1.742	0.000
H7	-0.129	2.115	0.910
H8	-0.129	2.115	-0.910
H9	2.068	-0.479	0.853
H10	2.068	-0.479	-0.853

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.8920	2.8631	2.8807	2.8807	1.0971	1.0960	1.0960	3.5212	3.5212
S2	1.8920		1.8723	1.6410	1.6410	2.4389	2.4371	2.4371	2.3720	2.3720
N3	2.8631	1.8723		2.8420	2.8420	3.8263	2.9637	2.9637	1.0341	1.0341
O4	2.8807	1.6410	2.8420		2.8665	3.1221	3.0006	3.7712	2.7196	3.5055
O5	2.8807	1.6410	2.8420	2.8665		3.1221	3.7712	3.0006	3.5055	2.7196
H6	1.0971	2.4389	3.8263	3.1221	3.1221		1.8245	1.8245	4.4267	4.4267
H7	1.0960	2.4371	2.9637	3.0006	3.7712	1.8245		1.8206	3.4000	3.8298
H8	1.0960	2.4371	2.9637	3.7712	3.0006	1.8245	1.8206		3.8298	3.4000
H9	3.5212	2.3720	1.0341	2.7196	3.5055	4.4267	3.4000	3.8298		1.7068
H10	3.5212	2.3720	1.0341	3.5055	2.7196	4.4267	3.8298	3.4000	1.7068

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	99.033	C1	S2	O4	109.045
C1	S2	O5	109.045	S2	C1	H6	106.293
S2	C1	H7	106.219	S2	C1	H8	106.219
S2	N3	H9	105.757	S2	N3	H10	105.757
N3	S2	O4	107.804	N3	S2	O5	107.804
O4	S2	O5	121.716	H6	C1	H7	112.592
H6	C1	H8	112.592	H7	C1	H8	112.307
H9	N3	H10	111.229

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: PBEPBE/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	-0.634
2	S	1.067
3	N	-0.769
4	O	-0.523
5	O	-0.523
6	H	0.238
7	H	0.237
8	H	0.237
9	H	0.336
10	H	0.336

	x	y	z	Total
	2.218	3.027	0.000	3.753
CHELPG
AIM
ESP

	x	y	z
x	7.404	-0.186	0.000
y	-0.186	6.619	0.000
z	0.000	0.000	7.310

<r²>	140.244
(<r²>)^1/2	11.842

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: PBEPBE/6-31G

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)