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	hartrees
Energy at 0K	-643.706309
Energy at 298.15K	-643.713123
HF Energy	-643.511886
Nuclear repulsion energy	255.443385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3469	3469	28.30
2	A'	3259	3259	0.66
3	A'	3126	3126	0.00
4	A'	1614	1614	35.90
5	A'	1502	1502	13.31
6	A'	1397	1397	1.07
7	A'	1045	1045	19.27
8	A'	883	883	173.25
9	A'	834	834	16.42
10	A'	633	633	45.30
11	A'	534	534	155.00
12	A'	363	363	22.07
13	A'	324	324	34.16
14	A'	226	226	5.20
15	A"	3623	3623	36.60
16	A"	3264	3264	0.61
17	A"	1506	1506	12.35
18	A"	1141	1141	42.54
19	A"	1025	1025	10.59
20	A"	926	926	39.58
21	A"	295	295	1.94
22	A"	240	240	15.13
23	A"	158	158	0.00
24	A"	152	152	47.67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.563	1.684	0.000
S2	-0.111	-0.136	0.000
N3	1.707	-0.030	0.000
O4	-0.563	-0.796	1.429
O5	-0.563	-0.796	-1.429
H6	-1.650	1.731	0.000
H7	-0.130	2.107	0.903
H8	-0.130	2.107	-0.903
H9	2.058	-0.462	0.855
H10	2.058	-0.462	-0.855

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.8757	2.8443	2.8620	2.8620	1.0883	1.0874	1.0874	3.4938	3.4938
S2	1.8757		1.8214	1.6372	1.6372	2.4197	2.4188	2.4188	2.3544	2.3544
N3	2.8443	1.8214		2.7896	2.7896	3.7909	2.9596	2.9596	1.0207	1.0207
O4	2.8620	1.6372	2.7896		2.8576	3.0994	2.9817	3.7489	2.7037	3.4927
O5	2.8620	1.6372	2.7896	2.8576		3.0994	3.7489	2.9817	3.4927	2.7037
H6	1.0883	2.4197	3.7909	3.0994	3.0994		1.8077	1.8077	4.3922	4.3922
H7	1.0874	2.4188	2.9596	2.9817	3.7489	1.8077		1.8069	3.3753	3.8058
H8	1.0874	2.4188	2.9596	3.7489	2.9817	1.8077	1.8069		3.8058	3.3753
H9	3.4938	2.3544	1.0207	2.7037	3.4927	4.3922	3.3753	3.8058		1.7109
H10	3.4938	2.3544	1.0207	3.4927	2.7037	4.3922	3.8058	3.3753	1.7109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	100.579	C1	S2	O4	108.928
C1	S2	O5	108.928	S2	C1	H6	106.394
S2	C1	H7	106.377	S2	C1	H8	106.377
S2	N3	H9	108.565	S2	N3	H10	108.565
N3	S2	O4	107.405	N3	S2	O5	107.405
O4	S2	O5	121.552	H6	C1	H7	112.376
H6	C1	H8	112.376	H7	C1	H8	112.373
H9	N3	H10	113.883

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B2PLYP/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	-0.603
2	S	1.237
3	N	-0.833
4	O	-0.586
5	O	-0.586
6	H	0.228
7	H	0.223
8	H	0.223
9	H	0.349
10	H	0.349

	x	y	z	Total
	2.534	3.443	0.000	4.275
CHELPG
AIM
ESP

	x	y	z
x	6.873	-0.182	0.000
y	-0.182	6.240	0.000
z	0.000	0.000	7.056

<r²>	138.485
(<r²>)^1/2	11.768

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)