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	hartrees
Energy at 0K	-640.883428
Energy at 298.15K	-640.890127
HF Energy	-640.883428
Nuclear repulsion energy	256.453427

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3137	5.59
2	A'	3176	3122	0.53
3	A'	3053	3001	0.18
4	A'	1592	1565	17.41
5	A'	1471	1446	10.66
6	A'	1339	1316	3.67
7	A'	995	978	41.49
8	A'	935	919	104.13
9	A'	901	886	5.46
10	A'	582	572	95.05
11	A'	503	495	85.84
12	A'	381	374	9.85
13	A'	315	310	31.07
14	A'	231	227	4.33
15	A"	3327	3270	3.58
16	A"	3181	3127	0.01
17	A"	1475	1450	10.41
18	A"	1166	1146	47.46
19	A"	1013	996	26.10
20	A"	948	931	0.11
21	A"	274	269	0.17
22	A"	223	219	9.91
23	A"	149	147	54.86
24	A"	123	121	3.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.551	1.699	0.000
S2	-0.134	-0.155	0.000
N3	1.723	0.067	0.000
O4	-0.551	-0.827	1.386
O5	-0.551	-0.827	-1.386
H6	-1.641	1.786	0.000
H7	-0.097	2.106	0.906
H8	-0.097	2.106	-0.906
H9	2.028	-0.468	0.841
H10	2.028	-0.468	-0.841

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.9003	2.7990	2.8813	2.8813	1.0934	1.0925	1.0925	3.4718	3.4718
S2	1.9003		1.8709	1.5959	1.5959	2.4574	2.4361	2.4361	2.3409	2.3409
N3	2.7990	1.8709		2.8100	2.8100	3.7778	2.8786	2.8786	1.0427	1.0427
O4	2.8813	1.5959	2.8100		2.7723	3.1523	3.0065	3.7501	2.6605	3.4268
O5	2.8813	1.5959	2.8100	2.7723		3.1523	3.7501	3.0065	3.4268	2.6605
H6	1.0934	2.4574	3.7778	3.1523	3.1523		1.8192	1.8192	4.3873	4.3873
H7	1.0925	2.4361	2.8786	3.0065	3.7501	1.8192		1.8122	3.3376	3.7668
H8	1.0925	2.4361	2.8786	3.7501	3.0065	1.8192	1.8122		3.7668	3.3376
H9	3.4718	2.3409	1.0427	2.6605	3.4268	4.3873	3.3376	3.7668		1.6827
H10	3.4718	2.3409	1.0427	3.4268	2.6605	4.3873	3.7668	3.3376	1.6827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	95.835	C1	S2	O4	110.696
C1	S2	O5	110.696	S2	C1	H6	107.246
S2	C1	H7	105.787	S2	C1	H8	105.787
S2	N3	H9	103.227	S2	N3	H10	103.227
N3	S2	O4	108.039	N3	S2	O5	108.039
O4	S2	O5	120.586	H6	C1	H7	112.663
H6	C1	H8	112.663	H7	C1	H8	112.076
H9	N3	H10	107.587

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B97D3/3-21G

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	-0.866
2	S	1.285
3	N	-0.757
4	O	-0.536
5	O	-0.536
6	H	0.263
7	H	0.269
8	H	0.269
9	H	0.304
10	H	0.304

	x	y	z	Total
	1.829	2.384	0.000	3.005
CHELPG
AIM
ESP

	x	y	z
x	6.627	-0.321	0.000
y	-0.321	6.255	0.000
z	0.000	0.000	6.355

<r²>	137.092
(<r²>)^1/2	11.709

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B97D3/3-21G

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)