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	hartrees
Energy at 0K	-644.008221
Energy at 298.15K	-644.015604
HF Energy	-644.008221
Nuclear repulsion energy	270.933094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3359	3340	17.94
2	A'	3126	3108	0.05
3	A'	3003	2986	0.27
4	A'	1513	1504	20.66
5	A'	1371	1363	5.99
6	A'	1254	1247	9.72
7	A'	1068	1061	158.74
8	A'	924	918	18.88
9	A'	870	865	57.07
10	A'	692	688	141.79
11	A'	641	637	85.42
12	A'	447	444	38.20
13	A'	423	421	9.81
14	A'	271	269	4.35
15	A"	3466	3446	26.65
16	A"	3133	3115	0.07
17	A"	1372	1364	1.02
18	A"	1281	1273	181.89
19	A"	1047	1041	12.13
20	A"	906	901	0.90
21	A"	353	351	0.02
22	A"	294	292	2.10
23	A"	197	196	0.28
24	A"	151	150	42.31

Atom	x (Å)	y (Å)	z (Å)
C1	-1.699	-0.027	0.000
S2	0.109	-0.145	0.000
N3	0.534	1.542	0.000
O4	0.534	-0.725	1.311
O5	0.534	-0.725	-1.311
H6	-2.076	-1.066	0.000
H7	-2.013	0.508	0.913
H8	-2.013	0.508	-0.913
H9	1.133	1.664	0.833
H10	1.133	1.664	-0.833

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.8120	2.7294	2.6821	2.6821	1.1054	1.1043	1.1043	3.4022	3.4022
S2	1.8120		1.7395	1.4954	1.4954	2.3715	2.4008	2.4008	2.2391	2.2391
N3	2.7294	1.7395		2.6184	2.6184	3.6900	2.8967	2.8967	1.0332	1.0332
O4	2.6821	1.4954	2.6184		2.6224	2.9412	2.8578	3.5996	2.5082	3.2649
O5	2.6821	1.4954	2.6184	2.6224		2.9412	3.5996	2.8578	3.2649	2.5082
H6	1.1054	2.3715	3.6900	2.9412	2.9412		1.8214	1.8214	4.2950	4.2950
H7	1.1043	2.4008	2.8967	2.8578	3.5996	1.8214		1.8267	3.3527	3.7794
H8	1.1043	2.4008	2.8967	3.5996	2.8578	1.8214	1.8267		3.7794	3.3527
H9	3.4022	2.2391	1.0332	2.5082	3.2649	4.2950	3.3527	3.7794		1.6659
H10	3.4022	2.2391	1.0332	3.2649	2.5082	4.2950	3.7794	3.3527	1.6659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	100.425	C1	S2	O4	107.999
C1	S2	O5	107.999	S2	C1	H6	106.218
S2	C1	H7	108.371	S2	C1	H8	108.371
S2	N3	H9	104.837	S2	N3	H10	104.837
N3	S2	O4	107.841	N3	S2	O5	107.841
O4	S2	O5	122.524	H6	C1	H7	111.030
H6	C1	H8	111.030	H7	C1	H8	111.603
H9	N3	H10	107.449

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: PBEPBE/cc-pVDZ

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	-0.140
2	S	0.714
3	N	-0.265
4	O	-0.409
5	O	-0.409
6	H	0.090
7	H	0.081
8	H	0.081
9	H	0.128
10	H	0.128

	x	y	z	Total
	-1.390	2.530	0.000	2.887
CHELPG
AIM
ESP

	x	y	z
x	6.525	0.465	0.000
y	0.465	6.191	0.000
z	0.000	0.000	6.324

<r²>	124.904
(<r²>)^1/2	11.176

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)