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	hartrees
Energy at 0K	-644.467701
Energy at 298.15K	-644.475218
HF Energy	-644.467701
Nuclear repulsion energy	272.894142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3428	3334	20.99
2	A'	3184	3096	0.38
3	A'	3066	2981	0.94
4	A'	1572	1529	21.75
5	A'	1442	1402	5.30
6	A'	1321	1284	6.19
7	A'	1096	1066	176.11
8	A'	963	937	18.69
9	A'	894	869	66.61
10	A'	715	695	150.86
11	A'	668	649	77.35
12	A'	460	447	44.19
13	A'	436	424	13.10
14	A'	275	267	4.40
15	A"	3534	3436	30.50
16	A"	3192	3104	0.61
17	A"	1443	1403	2.07
18	A"	1311	1275	197.80
19	A"	1081	1052	12.25
20	A"	947	921	0.56
21	A"	361	351	0.03
22	A"	299	291	2.58
23	A"	204	198	0.46
24	A"	157	153	42.72

Atom	x (Å)	y (Å)	z (Å)
C1	-1.691	-0.033	0.000
S2	0.108	-0.142	0.000
N3	0.533	1.527	0.000
O4	0.533	-0.717	1.300
O5	0.533	-0.717	-1.300
H6	-2.061	-1.067	0.000
H7	-2.004	0.497	0.908
H8	-2.004	0.497	-0.908
H9	1.118	1.666	0.832
H10	1.118	1.666	-0.832

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.8023	2.7170	2.6660	2.6660	1.0980	1.0968	1.0968	3.3871	3.3871
S2	1.8023		1.7220	1.4843	1.4843	2.3575	2.3856	2.3856	2.2316	2.2316
N3	2.7170	1.7220		2.5936	2.5936	3.6684	2.8844	2.8844	1.0264	1.0264
O4	2.6660	1.4843	2.5936		2.6006	2.9226	2.8402	3.5759	2.4981	3.2506
O5	2.6660	1.4843	2.5936	2.6006		2.9226	3.5759	2.8402	3.2506	2.4981
H6	1.0980	2.3575	3.6684	2.9226	2.9226		1.8097	1.8097	4.2740	4.2740
H7	1.0968	2.3856	2.8844	2.8402	3.5759	1.8097		1.8152	3.3346	3.7602
H8	1.0968	2.3856	2.8844	3.5759	2.8402	1.8097	1.8152		3.7602	3.3346
H9	3.3871	2.2316	1.0264	2.4981	3.2506	4.2740	3.3346	3.7602		1.6634
H10	3.3871	2.2316	1.0264	3.2506	2.4981	4.2740	3.7602	3.3346	1.6634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	100.850	C1	S2	O4	108.034
C1	S2	O5	108.034	S2	C1	H6	106.199
S2	C1	H7	108.276	S2	C1	H8	108.276
S2	N3	H9	105.777	S2	N3	H10	105.777
N3	S2	O4	107.750	N3	S2	O5	107.750
O4	S2	O5	122.336	H6	C1	H7	111.085
H6	C1	H8	111.085	H7	C1	H8	111.687
H9	N3	H10	108.245

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: TPSSh/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	-0.133
2	S	0.802
3	N	-0.295
4	O	-0.454
5	O	-0.454
6	H	0.092
7	H	0.083
8	H	0.083
9	H	0.138
10	H	0.138

	x	y	z	Total
	-1.505	2.676	0.000	3.070
CHELPG
AIM
ESP

	x	y	z
x	6.262	0.431	0.000
y	0.431	5.969	0.000
z	0.000	0.000	6.140

<r²>	123.471
(<r²>)^1/2	11.112

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: TPSSh/cc-pVDZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)