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	hartrees
Energy at 0K	-644.613370
Energy at 298.15K	-644.621100
HF Energy	-644.613370
Nuclear repulsion energy	277.197417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3509	3395	35.64
2	A'	3160	3058	0.20
3	A'	3065	2965	0.23
4	A'	1583	1532	34.56
5	A'	1456	1409	5.44
6	A'	1350	1306	10.93
7	A'	1136	1099	167.41
8	A'	986	954	23.18
9	A'	864	836	105.82
10	A'	704	681	11.27
11	A'	651	630	212.40
12	A'	490	474	40.45
13	A'	468	453	9.00
14	A'	290	281	4.61
15	A"	3612	3495	51.19
16	A"	3169	3066	0.36
17	A"	1457	1410	1.47
18	A"	1342	1299	259.49
19	A"	1089	1054	4.24
20	A"	972	940	0.82
21	A"	392	380	0.03
22	A"	327	317	2.81
23	A"	218	211	5.07
24	A"	185	179	28.31

Atom	x (Å)	y (Å)	z (Å)
C1	-1.683	-0.065	0.000
S2	0.108	-0.132	0.000
N3	0.535	1.496	0.000
O4	0.535	-0.700	1.268
O5	0.535	-0.700	-1.268
H6	-2.028	-1.096	0.000
H7	-2.009	0.453	0.897
H8	-2.009	0.453	-0.897
H9	1.059	1.715	0.838
H10	1.059	1.715	-0.838

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7916	2.7116	2.6325	2.6325	1.0873	1.0860	1.0860	3.3745	3.3745
S2	1.7916		1.6833	1.4537	1.4537	2.3427	2.3723	2.3723	2.2408	2.2408
N3	2.7116	1.6833		2.5359	2.5359	3.6447	2.8920	2.8920	1.0125	1.0125
O4	2.6325	1.4537	2.5359		2.5362	2.8866	2.8177	3.5341	2.5087	3.2473
O5	2.6325	1.4537	2.5359	2.5362		2.8866	3.5341	2.8177	3.2473	2.5087
H6	1.0873	2.3427	3.6447	2.8866	2.8866		1.7898	1.7898	4.2582	4.2582
H7	1.0860	2.3723	2.8920	2.8177	3.5341	1.7898		1.7944	3.3180	3.7439
H8	1.0860	2.3723	2.8920	3.5341	2.8177	1.7898	1.7944		3.7439	3.3180
H9	3.3745	2.2408	1.0125	2.5087	3.2473	4.2582	3.3180	3.7439		1.6762
H10	3.3745	2.2408	1.0125	3.2473	2.5087	4.2582	3.7439	3.3180	1.6762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.537	C1	S2	O4	107.972
C1	S2	O5	107.972	S2	C1	H6	106.344
S2	C1	H7	108.559	S2	C1	H8	108.559
S2	N3	H9	109.935	S2	N3	H10	109.935
N3	S2	O4	107.652	N3	S2	O5	107.652
O4	S2	O5	121.462	H6	C1	H7	110.889
H6	C1	H8	110.889	H7	C1	H8	111.415
H9	N3	H10	111.736

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B3LYPultrafine/aug-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	-0.700
2	S	2.083
3	N	-0.442
4	O	-0.886
5	O	-0.886
6	H	0.216
7	H	0.221
8	H	0.221
9	H	0.087
10	H	0.087

	x	y	z	Total
	-1.810	3.023	0.000	3.523
CHELPG
AIM
ESP

	x	y	z
x	7.783	0.258	0.000
y	0.258	7.408	0.000
z	0.000	0.000	7.262

<r²>	121.367
(<r²>)^1/2	11.017

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)