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	hartrees
Energy at 0K	-640.511735
Energy at 298.15K	-640.518714
HF Energy	-640.323309
Nuclear repulsion energy	260.016874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3354	3354	14.01
2	A'	3245	3245	0.26
3	A'	3131	3131	0.03
4	A'	1635	1635	29.35
5	A'	1521	1521	12.53
6	A'	1410	1410	5.08
7	A'	1042	1042	34.78
8	A'	939	939	93.98
9	A'	898	898	63.97
10	A'	631	631	68.20
11	A'	556	556	145.64
12	A'	408	408	11.38
13	A'	343	343	47.35
14	A'	247	247	3.37
15	A"	3485	3485	18.46
16	A"	3249	3249	0.36
17	A"	1529	1529	11.47
18	A"	1199	1199	55.87
19	A"	1038	1038	18.61
20	A"	989	989	0.36
21	A"	299	299	0.15
22	A"	241	241	11.84
23	A"	157	157	9.48
24	A"	143	143	47.45

Atom	x (Å)	y (Å)	z (Å)
C1	-0.543	1.673	0.000
S2	-0.123	-0.145	0.000
N3	1.672	0.034	0.000
O4	-0.543	-0.815	1.376
O5	-0.543	-0.815	-1.376
H6	-1.627	1.764	0.000
H7	-0.099	2.092	0.899
H8	-0.099	2.092	-0.899
H9	2.021	-0.432	0.849
H10	2.021	-0.432	-0.849

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.8657	2.7561	2.8435	2.8435	1.0872	1.0867	1.0867	3.4249	3.4249
S2	1.8657		1.8040	1.5874	1.5874	2.4301	2.4104	2.4104	2.3236	2.3236
N3	2.7561	1.8040		2.7430	2.7430	3.7253	2.8600	2.8600	1.0293	1.0293
O4	2.8435	1.5874	2.7430		2.7518	3.1178	2.9793	3.7180	2.6460	3.4164
O5	2.8435	1.5874	2.7430	2.7518		3.1178	3.7180	2.9793	3.4164	2.6460
H6	1.0872	2.4301	3.7253	3.1178	3.1178		1.8027	1.8027	4.3419	4.3419
H7	1.0867	2.4104	2.8600	2.9793	3.7180	1.8027		1.7979	3.2967	3.7309
H8	1.0867	2.4104	2.8600	3.7180	2.9793	1.8027	1.7979		3.7309	3.2967
H9	3.4249	2.3236	1.0293	2.6460	3.4164	4.3419	3.2967	3.7309		1.6973
H10	3.4249	2.3236	1.0293	3.4164	2.6460	4.3419	3.7309	3.2967	1.6973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	97.344	C1	S2	O4	110.606
C1	S2	O5	110.606	S2	C1	H6	107.833
S2	C1	H7	106.446	S2	C1	H8	106.446
S2	N3	H9	106.994	S2	N3	H10	106.994
N3	S2	O4	107.788	N3	S2	O5	107.788
O4	S2	O5	120.168	H6	C1	H7	112.039
H6	C1	H8	112.039	H7	C1	H8	111.639
H9	N3	H10	111.081

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B2PLYP/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	-0.872
2	S	1.425
3	N	-0.825
4	O	-0.573
5	O	-0.573
6	H	0.259
7	H	0.263
8	H	0.263
9	H	0.317
10	H	0.317

	x	y	z	Total
	2.154	2.689	0.000	3.445
CHELPG
AIM
ESP

	x	y	z
x	6.087	-0.250	0.000
y	-0.250	5.796	0.000
z	0.000	0.000	6.147

<r²>	134.207
(<r²>)^1/2	11.585

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B2PLYP/3-21G

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)