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	hartrees
Energy at 0K	-644.428603
Energy at 298.15K	-644.436092
HF Energy	-644.428603
Nuclear repulsion energy	272.537888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3434	3385	24.37
2	A'	3130	3085	0.85
3	A'	3022	2979	0.89
4	A'	1564	1542	33.84
5	A'	1429	1408	5.75
6	A'	1318	1299	6.97
7	A'	1067	1052	179.32
8	A'	965	951	16.46
9	A'	849	837	88.81
10	A'	680	670	114.08
11	A'	632	623	130.22
12	A'	457	451	35.87
13	A'	432	426	7.69
14	A'	275	271	4.72
15	A"	3545	3494	30.22
16	A"	3138	3092	1.13
17	A"	1428	1408	2.13
18	A"	1278	1260	235.18
19	A"	1064	1049	11.47
20	A"	953	940	0.27
21	A"	370	364	0.03
22	A"	311	307	2.16
23	A"	209	206	0.81
24	A"	155	153	43.20

Atom	x (Å)	y (Å)	z (Å)
C1	-1.702	-0.047	0.000
S2	0.110	-0.144	0.000
N3	0.537	1.530	0.000
O4	0.537	-0.715	1.298
O5	0.537	-0.715	-1.298
H6	-2.063	-1.077	0.000
H7	-2.015	0.481	0.902
H8	-2.015	0.481	-0.902
H9	1.090	1.714	0.835
H10	1.090	1.714	-0.835

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.8150	2.7391	2.6736	2.6736	1.0919	1.0907	1.0907	3.4050	3.4050
S2	1.8150		1.7275	1.4814	1.4814	2.3650	2.3916	2.3916	2.2599	2.2599
N3	2.7391	1.7275		2.5937	2.5937	3.6824	2.9033	2.9033	1.0180	1.0180
O4	2.6736	1.4814	2.5937		2.5963	2.9286	2.8465	3.5758	2.5338	3.2796
O5	2.6736	1.4814	2.5937	2.5963		2.9286	3.5758	2.8465	3.2796	2.5338
H6	1.0919	2.3650	3.6824	2.9286	2.9286		1.8012	1.8012	4.2928	4.2928
H7	1.0907	2.3916	2.9033	2.8465	3.5758	1.8012		1.8040	3.3416	3.7655
H8	1.0907	2.3916	2.9033	3.5758	2.8465	1.8012	1.8040		3.7655	3.3416
H9	3.4050	2.2599	1.0180	2.5338	3.2796	4.2928	3.3416	3.7655		1.6699
H10	3.4050	2.2599	1.0180	3.2796	2.5338	4.2928	3.7655	3.3416	1.6699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.257	C1	S2	O4	107.975
C1	S2	O5	107.975	S2	C1	H6	106.209
S2	C1	H7	108.187	S2	C1	H8	108.187
S2	N3	H9	107.996	S2	N3	H10	107.996
N3	S2	O4	107.614	N3	S2	O5	107.614
O4	S2	O5	122.398	H6	C1	H7	111.220
H6	C1	H8	111.220	H7	C1	H8	111.577
H9	N3	H10	110.205

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B97D3/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	-0.335
2	S	0.632
3	N	-0.495
4	O	-0.371
5	O	-0.371
6	H	0.156
7	H	0.143
8	H	0.143
9	H	0.249
10	H	0.249

	x	y	z	Total
	-1.648	2.844	0.000	3.287
CHELPG
AIM
ESP

	x	y	z
x	7.049	0.308	0.000
y	0.308	6.807	0.000
z	0.000	0.000	7.019

<r²>	124.516
(<r²>)^1/2	11.159

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)