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	hartrees
Energy at 0K	-644.434867
Energy at 298.15K	-644.442694
HF Energy	-644.434867
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3579	3579	37.26
2	A'	3197	3197	0.71
3	A'	3092	3092	0.75
4	A'	1662	1662	55.93
5	A'	1480	1480	8.31
6	A'	1387	1387	23.23
7	A'	1176	1176	205.57
8	A'	1012	1012	32.02
9	A'	904	904	132.17
10	A'	741	741	17.10
11	A'	672	672	260.72
12	A'	507	507	51.50
13	A'	482	482	13.14
14	A'	301	301	4.96
15	A"	3687	3687	43.18
16	A"	3208	3208	1.03
17	A"	1474	1474	1.14
18	A"	1401	1401	280.56
19	A"	1134	1134	1.26
20	A"	998	998	1.23
21	A"	409	409	0.03
22	A"	338	338	2.71
23	A"	222	222	1.05
24	A"	179	179	41.50

Atom	x (Å)	y (Å)	z (Å)
C1	-1.670	-0.062	0.000
S2	0.110	-0.135	0.000
N3	0.531	1.484	0.000
O4	0.531	-0.696	1.266
O5	0.531	-0.696	-1.266
H6	-2.031	-1.090	0.000
H7	-1.999	0.458	0.897
H8	-1.999	0.458	-0.897
H9	1.043	1.726	0.838
H10	1.043	1.726	-0.838

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7817	2.6895	2.6169	2.6169	1.0895	1.0880	1.0880	3.3549	3.3549
S2	1.7817		1.6732	1.4468	1.4468	2.3437	2.3678	2.3678	2.2440	2.2440
N3	2.6895	1.6732		2.5207	2.5207	3.6311	2.8739	2.8739	1.0110	1.0110
O4	2.6169	1.4468	2.5207		2.5312	2.8840	2.8052	3.5230	2.5119	3.2482
O5	2.6169	1.4468	2.5207	2.5312		2.8840	3.5230	2.8052	3.2482	2.5119
H6	1.0895	2.3437	3.6311	2.8840	2.8840		1.7896	1.7896	4.2513	4.2513
H7	1.0880	2.3678	2.8739	2.8052	3.5230	1.7896		1.7947	3.2959	3.7243
H8	1.0880	2.3678	2.8739	3.5230	2.8052	1.7896	1.7947		3.7243	3.2959
H9	3.3549	2.2440	1.0110	2.5119	3.2482	4.2513	3.2959	3.7243		1.6755
H10	3.3549	2.2440	1.0110	3.2482	2.5119	4.2513	3.7243	3.2959	1.6755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.196	C1	S2	O4	107.858
C1	S2	O5	107.858	S2	C1	H6	106.941
S2	C1	H7	108.784	S2	C1	H8	108.784
S2	N3	H9	111.023	S2	N3	H10	111.023
N3	S2	O4	107.568	N3	S2	O5	107.568
O4	S2	O5	122.041	H6	C1	H7	110.539
H6	C1	H8	110.539	H7	C1	H8	111.129
H9	N3	H10	111.915

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: wB97X-D/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	-0.800
2	S	1.100
3	N	-0.885
4	O	-0.515
5	O	-0.515
6	H	0.284
7	H	0.272
8	H	0.272
9	H	0.394
10	H	0.394

	x	y	z	Total
	-1.750	3.311	0.000	3.745
CHELPG
AIM
ESP

	x	y	z
x	6.036	0.280	0.000
y	0.280	5.760	0.000
z	0.000	0.000	5.953

<r²>	120.357
(<r²>)^1/2	10.971

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: wB97X-D/6-311G*

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)