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	hartrees
Energy at 0K	-644.291305
Energy at 298.15K	-644.299111
HF Energy	-643.944296
Nuclear repulsion energy	278.025756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3529	3386	37.44
2	A'	3189	3059	0.23
3	A'	3086	2961	0.24
4	A'	1595	1530	34.78
5	A'	1469	1410	5.29
6	A'	1360	1305	13.41
7	A'	1155	1108	159.90
8	A'	994	954	25.65
9	A'	887	851	106.41
10	A'	725	696	12.84
11	A'	676	649	222.84
12	A'	498	478	44.04
13	A'	476	457	11.63
14	A'	295	283	4.46
15	A"	3637	3490	48.93
16	A"	3198	3068	0.48
17	A"	1471	1411	0.88
18	A"	1372	1316	224.76
19	A"	1100	1055	3.33
20	A"	979	939	0.77
21	A"	398	382	0.01
22	A"	332	318	3.06
23	A"	226	217	3.39
24	A"	185	177	31.84

Atom	x (Å)	y (Å)	z (Å)
C1	-1.673	-0.059	0.000
S2	0.108	-0.133	0.000
N3	0.531	1.490	0.000
O4	0.531	-0.699	1.268
O5	0.531	-0.699	-1.268
H6	-2.023	-1.088	0.000
H7	-1.997	0.459	0.896
H8	-1.997	0.459	-0.896
H9	1.061	1.699	0.835
H10	1.061	1.699	-0.835

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7823	2.6938	2.6212	2.6212	1.0862	1.0848	1.0848	3.3565	3.3565
S2	1.7823		1.6773	1.4512	1.4512	2.3351	2.3634	2.3634	2.2278	2.2278
N3	2.6938	1.6773		2.5297	2.5297	3.6286	2.8737	2.8737	1.0116	1.0116
O4	2.6212	1.4512	2.5297		2.5354	2.8773	2.8052	3.5232	2.4937	3.2334
O5	2.6212	1.4512	2.5297	2.5354		2.8773	3.5232	2.8052	3.2334	2.4937
H6	1.0862	2.3351	3.6286	2.8773	2.8773		1.7874	1.7874	4.2399	4.2399
H7	1.0848	2.3634	2.8737	2.8052	3.5232	1.7874		1.7922	3.3013	3.7274
H8	1.0848	2.3634	2.8737	3.5232	2.8052	1.7874	1.7922		3.7274	3.3013
H9	3.3565	2.2278	1.0116	2.4937	3.2334	4.2399	3.3013	3.7274		1.6709
H10	3.3565	2.2278	1.0116	3.2334	2.4937	4.2399	3.7274	3.3013	1.6709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.230	C1	S2	O4	107.881
C1	S2	O5	107.881	S2	C1	H6	106.445
S2	C1	H7	108.584	S2	C1	H8	108.584
S2	N3	H9	109.382	S2	N3	H10	109.382
N3	S2	O4	107.701	N3	S2	O5	107.701
O4	S2	O5	121.748	H6	C1	H7	110.835
H6	C1	H8	110.835	H7	C1	H8	111.382
H9	N3	H10	111.354

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B2PLYP/cc-pVTZ

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	-0.310
2	S	0.844
3	N	-0.365
4	O	-0.450
5	O	-0.450
6	H	0.130
7	H	0.125
8	H	0.125
9	H	0.175
10	H	0.175

	x	y	z	Total
	-1.621	2.955	0.000	3.370
CHELPG
AIM
ESP

	x	y	z
x	6.774	0.327	0.000
y	0.327	6.462	0.000
z	0.000	0.000	6.510

<r²>	120.437
(<r²>)^1/2	10.974

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)