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	hartrees
Energy at 0K	-644.389664
Energy at 298.15K	-644.397415
HF Energy	-644.389664
Nuclear repulsion energy	277.327089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3545	3412	34.22
2	A'	3184	3065	0.63
3	A'	3080	2965	0.70
4	A'	1650	1589	50.18
5	A'	1468	1413	8.07
6	A'	1373	1322	19.80
7	A'	1144	1102	199.47
8	A'	1004	966	27.12
9	A'	888	854	128.13
10	A'	725	698	11.72
11	A'	662	638	259.41
12	A'	495	477	46.99
13	A'	470	452	9.85
14	A'	294	283	4.70
15	A"	3652	3516	39.52
16	A"	3194	3075	0.95
17	A"	1466	1411	2.58
18	A"	1366	1315	262.09
19	A"	1119	1077	2.57
20	A"	987	950	1.31
21	A"	399	384	0.21
22	A"	329	317	2.66
23	A"	229	221	0.14
24	A"	171	165	42.67

Atom	x (Å)	y (Å)	z (Å)
C1	-1.674	-0.060	0.000
S2	0.110	-0.136	0.000
N3	0.532	1.492	0.000
O4	0.532	-0.699	1.272
O5	0.532	-0.699	-1.272
H6	-2.034	-1.089	0.000
H7	-2.005	0.460	0.898
H8	-2.005	0.460	-0.898
H9	1.053	1.724	0.837
H10	1.053	1.724	-0.837

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7856	2.6971	2.6257	2.6257	1.0900	1.0886	1.0886	3.3641	3.3641
S2	1.7856		1.6819	1.4540	1.4540	2.3458	2.3732	2.3732	2.2468	2.2468
N3	2.6971	1.6819		2.5337	2.5337	3.6390	2.8818	2.8818	1.0126	1.0126
O4	2.6257	1.4540	2.5337		2.5447	2.8903	2.8138	3.5336	2.5160	3.2541
O5	2.6257	1.4540	2.5337	2.5447		2.8903	3.5336	2.8138	3.2541	2.5160
H6	1.0900	2.3458	3.6390	2.8903	2.8903		1.7902	1.7902	4.2587	4.2587
H7	1.0886	2.3732	2.8818	2.8138	3.5336	1.7902		1.7953	3.3090	3.7355
H8	1.0886	2.3732	2.8818	3.5336	2.8138	1.7902	1.7953		3.7355	3.3090
H9	3.3641	2.2468	1.0126	2.5160	3.2541	4.2587	3.3090	3.7355		1.6737
H10	3.3641	2.2468	1.0126	3.2541	2.5160	4.2587	3.7355	3.3090	1.6737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.080	C1	S2	O4	107.854
C1	S2	O5	107.854	S2	C1	H6	106.813
S2	C1	H7	108.891	S2	C1	H8	108.891
S2	N3	H9	110.520	S2	N3	H10	110.520
N3	S2	O4	107.575	N3	S2	O5	107.575
O4	S2	O5	122.116	H6	C1	H7	110.510
H6	C1	H8	110.510	H7	C1	H8	111.102
H9	N3	H10	111.463

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B3PW91/6-311G*

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	-0.806
2	S	1.083
3	N	-0.880
4	O	-0.507
5	O	-0.507
6	H	0.285
7	H	0.274
8	H	0.274
9	H	0.392
10	H	0.392

	x	y	z	Total
	-1.698	3.222	0.000	3.642
CHELPG
AIM
ESP

	x	y	z
x	6.180	0.293	0.000
y	0.293	5.888	0.000
z	0.000	0.000	6.055

<r²>	121.062
(<r²>)^1/2	11.003

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)