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	hartrees
Energy at 0K	-641.264732
Energy at 298.15K	-641.272317
HF Energy	-641.264732
Nuclear repulsion energy	276.521897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3474	3355	33.76
2	A'	3151	3043	3.70
3	A'	3068	2963	2.07
4	A'	1629	1574	54.43
5	A'	1527	1475	7.24
6	A'	1434	1385	14.49
7	A'	1157	1117	169.95
8	A'	1027	992	30.19
9	A'	902	871	201.51
10	A'	733	708	41.78
11	A'	498	481	82.43
12	A'	466	450	33.52
13	A'	397	384	240.01
14	A'	291	281	0.27
15	A"	3606	3483	43.45
16	A"	3162	3054	4.30
17	A"	1531	1478	3.38
18	A"	1400	1352	196.49
19	A"	1056	1020	3.56
20	A"	999	965	0.01
21	A"	413	399	1.46
22	A"	324	313	2.09
23	A"	244	236	0.00
24	A"	168	162	13.09

Atom	x (Å)	y (Å)	z (Å)
C1	-1.666	-0.052	0.000
S2	0.118	-0.138	0.000
N3	0.539	1.462	0.000
O4	0.539	-0.706	1.284
O5	0.539	-0.706	-1.284
H6	-2.063	-1.072	0.000
H7	-2.009	0.473	0.896
H8	-2.009	0.473	-0.896
H9	0.893	1.858	0.870
H10	0.893	1.858	-0.870

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7858	2.6747	2.6346	2.6346	1.0949	1.0934	1.0934	3.3092	3.3092
S2	1.7858		1.6542	1.4661	1.4661	2.3722	2.3872	2.3872	2.3112	2.3112
N3	2.6747	1.6542		2.5196	2.5196	3.6321	2.8763	2.8763	1.0194	1.0194
O4	2.6346	1.4661	2.5196		2.5681	2.9247	2.8349	3.5548	2.6214	3.3677
O5	2.6346	1.4661	2.5196	2.5681		2.9247	3.5548	2.8349	3.3677	2.6214
H6	1.0949	2.3722	3.6321	2.9247	2.9247		1.7872	1.7872	4.2518	4.2518
H7	1.0934	2.3872	2.8763	2.8349	3.5548	1.7872		1.7913	3.2151	3.6680
H8	1.0934	2.3872	2.8763	3.5548	2.8349	1.7872	1.7913		3.6680	3.2151
H9	3.3092	2.3112	1.0194	2.6214	3.3677	4.2518	3.2151	3.6680		1.7404
H10	3.3092	2.3112	1.0194	3.3677	2.6214	4.2518	3.6680	3.2151	1.7404

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.002	C1	S2	O4	107.818
C1	S2	O5	107.818	S2	C1	H6	108.480
S2	C1	H7	109.663	S2	C1	H8	109.663
S2	N3	H9	117.674	S2	N3	H10	117.674
N3	S2	O4	107.547	N3	S2	O5	107.547
O4	S2	O5	122.281	H6	C1	H7	109.508
H6	C1	H8	109.508	H7	C1	H8	109.995
H9	N3	H10	117.222

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: TPSSh/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	-0.869
2	S	1.252
3	N	-0.835
4	O	-0.477
5	O	-0.477
6	H	0.250
7	H	0.242
8	H	0.242
9	H	0.337
10	H	0.337

	x	y	z	Total
	-1.542	3.579	0.000	3.897
CHELPG
AIM
ESP

	x	y	z
x	4.891	0.358	0.000
y	0.358	5.121	0.000
z	0.000	0.000	5.337

<r²>	120.969
(<r²>)^1/2	10.999

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: TPSSh/3-21G*

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)