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	hartrees
Energy at 0K	-641.123534
Energy at 298.15K	-641.131264
HF Energy	-641.123534
Nuclear repulsion energy	277.913767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3527	3383	45.78
2	A'	3169	3040	1.58
3	A'	3081	2956	0.78
4	A'	1629	1563	68.80
5	A'	1518	1456	8.53
6	A'	1434	1376	23.64
7	A'	1185	1137	182.42
8	A'	1034	992	43.72
9	A'	924	886	198.17
10	A'	758	728	58.41
11	A'	518	497	112.79
12	A'	480	461	29.90
13	A'	420	403	232.84
14	A'	305	293	1.65
15	A"	3661	3512	55.78
16	A"	3180	3051	2.21
17	A"	1522	1461	2.68
18	A"	1426	1368	215.51
19	A"	1060	1017	6.70
20	A"	1001	960	0.00
21	A"	429	412	0.89
22	A"	338	324	1.43
23	A"	248	238	0.04
24	A"	183	176	8.23

Atom	x (Å)	y (Å)	z (Å)
C1	-1.658	-0.066	0.000
S2	0.118	-0.134	0.000
N3	0.540	1.453	0.000
O4	0.540	-0.700	1.276
O5	0.540	-0.700	-1.276
H6	-2.045	-1.090	0.000
H7	-2.010	0.453	0.895
H8	-2.010	0.453	-0.895
H9	0.846	1.875	0.871
H10	0.846	1.875	-0.871

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7768	2.6718	2.6194	2.6194	1.0944	1.0929	1.0929	3.2855	3.2855
S2	1.7768		1.6416	1.4585	1.4585	2.3645	2.3817	2.3817	2.3072	2.3072
N3	2.6718	1.6416		2.5026	2.5026	3.6259	2.8817	2.8817	1.0150	1.0150
O4	2.6194	1.4585	2.5026		2.5516	2.9090	2.8249	3.5421	2.6247	3.3666
O5	2.6194	1.4585	2.5026	2.5516		2.9090	3.5421	2.8249	3.3666	2.6247
H6	1.0944	2.3645	3.6259	2.9090	2.9090		1.7840	1.7840	4.2314	4.2314
H7	1.0929	2.3817	2.8817	2.8249	3.5421	1.7840		1.7896	3.1904	3.6464
H8	1.0929	2.3817	2.8817	3.5421	2.8249	1.7840	1.7896		3.6464	3.1904
H9	3.2855	2.3072	1.0150	2.6247	3.3666	4.2314	3.1904	3.6464		1.7419
H10	3.2855	2.3072	1.0150	3.3666	2.6247	4.2314	3.6464	3.1904	1.7419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.738	C1	S2	O4	107.716
C1	S2	O5	107.716	S2	C1	H6	108.531
S2	C1	H7	109.888	S2	C1	H8	109.888
S2	N3	H9	118.655	S2	N3	H10	118.655
N3	S2	O4	107.507	N3	S2	O5	107.507
O4	S2	O5	122.023	H6	C1	H7	109.293
H6	C1	H8	109.293	H7	C1	H8	109.923
H9	N3	H10	118.198

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B3PW91/3-21G*

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	-0.906
2	S	1.264
3	N	-0.855
4	O	-0.480
5	O	-0.480
6	H	0.261
7	H	0.251
8	H	0.251
9	H	0.347
10	H	0.347

	x	y	z	Total
	-1.764	3.783	0.000	4.174
CHELPG
AIM
ESP

	x	y	z
x	4.731	0.323	0.000
y	0.323	5.001	0.000
z	0.000	0.000	5.214

<r²>	119.964
(<r²>)^1/2	10.953

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)