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	hartrees
Energy at 0K	-644.636785
Energy at 298.15K	-644.644598
HF Energy	-644.636785
Nuclear repulsion energy	279.485258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3529	3397	39.79
2	A'	3160	3042	0.58
3	A'	3066	2951	0.40
4	A'	1587	1527	39.22
5	A'	1459	1404	4.96
6	A'	1357	1307	13.93
7	A'	1170	1126	171.50
8	A'	988	951	30.36
9	A'	873	841	128.35
10	A'	721	694	15.62
11	A'	619	596	222.86
12	A'	506	487	45.11
13	A'	484	466	4.71
14	A'	299	288	4.13
15	A"	3635	3499	51.58
16	A"	3169	3051	1.01
17	A"	1461	1406	0.02
18	A"	1386	1335	259.01
19	A"	1087	1046	1.23
20	A"	974	938	0.87
21	A"	408	393	0.14
22	A"	341	329	3.06
23	A"	231	222	4.36
24	A"	197	189	26.36

Atom	x (Å)	y (Å)	z (Å)
C1	-1.663	-0.075	0.000
S2	0.112	-0.130	0.000
N3	0.529	1.476	0.000
O4	0.529	-0.691	1.254
O5	0.529	-0.691	-1.254
H6	-2.010	-1.106	0.000
H7	-2.004	0.439	0.895
H8	-2.004	0.439	-0.895
H9	1.023	1.738	0.842
H10	1.023	1.738	-0.842

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7762	2.6856	2.5997	2.5997	1.0880	1.0868	1.0868	3.3485	3.3485
S2	1.7762		1.6596	1.4359	1.4359	2.3355	2.3668	2.3668	2.2423	2.2423
N3	2.6856	1.6596		2.5041	2.5041	3.6215	2.8798	2.8798	1.0108	1.0108
O4	2.5997	1.4359	2.5041		2.5086	2.8619	2.7964	3.5087	2.5125	3.2462
O5	2.5997	1.4359	2.5041	2.5086		2.8619	3.5087	2.7964	3.2462	2.5125
H6	1.0880	2.3355	3.6215	2.8619	2.8619		1.7856	1.7856	4.2422	4.2422
H7	1.0868	2.3668	2.8798	2.7964	3.5087	1.7856		1.7904	3.2945	3.7241
H8	1.0868	2.3668	2.8798	3.5087	2.7964	1.7856	1.7904		3.7241	3.2945
H9	3.3485	2.2423	1.0108	2.5125	3.2462	4.2422	3.2945	3.7241		1.6843
H10	3.3485	2.2423	1.0108	3.2462	2.5125	4.2422	3.7241	3.2945	1.6843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.773	C1	S2	O4	107.596
C1	S2	O5	107.596	S2	C1	H6	106.787
S2	C1	H7	109.139	S2	C1	H8	109.139
S2	N3	H9	111.907	S2	N3	H10	111.907
N3	S2	O4	107.769	N3	S2	O5	107.769
O4	S2	O5	121.749	H6	C1	H7	110.380
H6	C1	H8	110.380	H7	C1	H8	110.910
H9	N3	H10	112.838

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B3LYP/Def2TZVPP

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	-0.271
2	S	0.796
3	N	-0.333
4	O	-0.455
5	O	-0.455
6	H	0.128
7	H	0.123
8	H	0.123
9	H	0.172
10	H	0.172

	x	y	z	Total
	-1.641	3.062	0.000	3.474
CHELPG
AIM
ESP

	x	y	z
x	6.881	0.328	0.000
y	0.328	6.602	0.000
z	0.000	0.000	6.643

<r²>	119.613
(<r²>)^1/2	10.937

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)