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	hartrees
Energy at 0K	-636.509721
Energy at 298.15K	-636.515748
HF Energy	-636.509721
Nuclear repulsion energy	251.828401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3566	3135	1.54
2	A'	3434	3018	28.29
3	A'	3353	2947	22.42
4	A'	1825	1604	3.68
5	A'	1634	1436	5.01
6	A'	1424	1251	1.65
7	A'	1107	973	50.44
8	A'	979	861	15.77
9	A'	866	761	31.39
10	A'	648	569	63.20
11	A'	595	523	56.94
12	A'	299	263	14.80
13	A'	272	239	13.09
14	A'	218	191	5.91
15	A"	3632	3192	11.52
16	A"	3570	3137	2.34
17	A"	1635	1437	4.50
18	A"	1154	1014	7.20
19	A"	1028	904	31.43
20	A"	919	808	0.75
21	A"	279	245	10.93
22	A"	199	175	5.81
23	A"	124	109	38.65
24	A"	39	34	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.556	1.716	0.000
S2	-0.151	-0.168	0.000
N3	1.777	0.108	0.000
O4	-0.556	-0.839	1.415
O5	-0.556	-0.839	-1.415
H6	-1.646	1.834	0.000
H7	-0.109	2.147	0.903
H8	-0.109	2.147	-0.903
H9	2.035	-0.535	0.817
H10	2.035	-0.535	-0.817

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.9272	2.8334	2.9206	2.9206	1.0961	1.0956	1.0956	3.5281	3.5281
S2	1.9272		1.9478	1.6174	1.6174	2.4986	2.4851	2.4851	2.3623	2.3623
N3	2.8334	1.9478		2.8881	2.8881	3.8333	2.9207	2.9207	1.0712	1.0712
O4	2.9206	1.6174	2.8881		2.8302	3.2148	3.0618	3.8061	2.6762	3.4330
O5	2.9206	1.6174	2.8881	2.8302		3.2148	3.8061	3.0618	3.4330	2.6762
H6	1.0961	2.4986	3.8333	3.2148	3.2148		1.8092	1.8092	4.4528	4.4528
H7	1.0956	2.4851	2.9207	3.0618	3.8061	1.8092		1.8064	3.4348	3.8404
H8	1.0956	2.4851	2.9207	3.8061	3.0618	1.8092	1.8064		3.8404	3.4348
H9	3.5281	2.3623	1.0712	2.6762	3.4330	4.4528	3.4348	3.8404		1.6336
H10	3.5281	2.3623	1.0712	3.4330	2.6762	4.4528	3.8404	3.4348	1.6336

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	93.972	C1	S2	O4	110.661
C1	S2	O5	110.661	S2	C1	H6	108.310
S2	C1	H7	107.376	S2	C1	H8	107.376
S2	N3	H9	98.812	S2	N3	H10	98.812
N3	S2	O4	107.850	N3	S2	O5	107.850
O4	S2	O5	122.066	H6	C1	H7	111.268
H6	C1	H8	111.268	H7	C1	H8	111.046
H9	N3	H10	99.378

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: mPW1PW91/STO-3G

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	-0.302
2	S	0.799
3	N	-0.399
4	O	-0.347
5	O	-0.347
6	H	0.099
7	H	0.106
8	H	0.106
9	H	0.143
10	H	0.143

	x	y	z	Total
	0.612	1.129	0.000	1.284
CHELPG
AIM
ESP

	x	y	z
x	5.016	-0.361	0.000
y	-0.361	4.396	0.000
z	0.000	0.000	4.457

<r²>	139.482
(<r²>)^1/2	11.810

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: mPW1PW91/STO-3G

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)