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	hartrees
Energy at 0K	-644.175916
Energy at 298.15K	-644.183647
HF Energy	-644.175916
Nuclear repulsion energy	276.271491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3548	3407	43.84
2	A'	3197	3070	0.04
3	A'	3088	2965	0.03
4	A'	1592	1528	46.56
5	A'	1449	1391	7.29
6	A'	1354	1300	16.94
7	A'	1135	1089	191.43
8	A'	988	949	27.98
9	A'	875	841	121.54
10	A'	723	694	10.22
11	A'	669	642	232.93
12	A'	490	470	50.52
13	A'	461	443	12.10
14	A'	288	276	5.15
15	A"	3661	3515	52.90
16	A"	3206	3078	0.05
17	A"	1451	1393	1.24
18	A"	1348	1295	277.15
19	A"	1090	1047	3.52
20	A"	974	935	0.88
21	A"	392	376	0.00
22	A"	328	315	2.78
23	A"	220	212	1.17
24	A"	181	174	40.37

Atom	x (Å)	y (Å)	z (Å)
C1	-1.679	-0.064	0.000
S2	0.106	-0.134	0.000
N3	0.535	1.497	0.000
O4	0.535	-0.700	1.281
O5	0.535	-0.700	-1.281
H6	-2.028	-1.096	0.000
H7	-2.006	0.455	0.899
H8	-2.006	0.455	-0.899
H9	1.058	1.715	0.839
H10	1.058	1.715	-0.839

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7870	2.7090	2.6359	2.6359	1.0892	1.0879	1.0879	3.3705	3.3705
S2	1.7870		1.6862	1.4647	1.4647	2.3409	2.3696	2.3696	2.2422	2.2422
N3	2.7090	1.6862		2.5429	2.5429	3.6455	2.8892	2.8892	1.0122	1.0122
O4	2.6359	1.4647	2.5429		2.5625	2.8924	2.8168	3.5411	2.5099	3.2554
O5	2.6359	1.4647	2.5429	2.5625		2.8924	3.5411	2.8168	3.2554	2.5099
H6	1.0892	2.3409	3.6455	2.8924	2.8924		1.7926	1.7926	4.2574	4.2574
H7	1.0879	2.3696	2.8892	2.8168	3.5411	1.7926		1.7972	3.3131	3.7405
H8	1.0879	2.3696	2.8892	3.5411	2.8168	1.7926	1.7972		3.7405	3.3131
H9	3.3705	2.2422	1.0122	2.5099	3.2554	4.2574	3.3131	3.7405		1.6773
H10	3.3705	2.2422	1.0122	3.2554	2.5099	4.2574	3.7405	3.3131	1.6773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.478	C1	S2	O4	107.911
C1	S2	O5	107.911	S2	C1	H6	106.418
S2	C1	H7	108.573	S2	C1	H8	108.573
S2	N3	H9	109.855	S2	N3	H10	109.855
N3	S2	O4	107.407	N3	S2	O5	107.407
O4	S2	O5	122.034	H6	C1	H7	110.856
H6	C1	H8	110.856	H7	C1	H8	111.384
H9	N3	H10	111.900

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: HSEh1PBE/TZVP

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	-0.379
2	S	0.677
3	N	-0.520
4	O	-0.395
5	O	-0.395
6	H	0.170
7	H	0.156
8	H	0.156
9	H	0.265
10	H	0.265

	x	y	z	Total
	-1.772	3.109	0.000	3.578
CHELPG
AIM
ESP

	x	y	z
x	6.603	0.269	0.000
y	0.269	6.354	0.000
z	0.000	0.000	6.645

<r²>	121.776
(<r²>)^1/2	11.035

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: HSEh1PBE/TZVP

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)