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	hartrees
Energy at 0K	-644.606492
Energy at 298.15K	-644.614235
HF Energy	-644.606492
Nuclear repulsion energy	277.347875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3510	3393	35.03
2	A'	3160	3055	0.39
3	A'	3064	2962	0.26
4	A'	1586	1533	33.83
5	A'	1457	1408	5.33
6	A'	1349	1304	12.53
7	A'	1147	1109	165.26
8	A'	987	954	25.70
9	A'	871	842	108.53
10	A'	707	683	15.68
11	A'	660	638	222.99
12	A'	492	476	41.12
13	A'	472	456	10.44
14	A'	291	282	4.51
15	A"	3614	3494	45.53
16	A"	3169	3064	0.73
17	A"	1458	1409	1.02
18	A"	1361	1315	234.53
19	A"	1093	1057	3.38
20	A"	972	940	0.73
21	A"	394	381	0.02
22	A"	328	317	2.87
23	A"	216	209	4.63
24	A"	184	178	29.58

Atom	x (Å)	y (Å)	z (Å)
C1	-1.681	-0.062	0.000
S2	0.109	-0.133	0.000
N3	0.534	1.496	0.000
O4	0.534	-0.700	1.267
O5	0.534	-0.700	-1.267
H6	-2.030	-1.092	0.000
H7	-2.008	0.456	0.897
H8	-2.008	0.456	-0.897
H9	1.062	1.710	0.837
H10	1.062	1.710	-0.837

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7915	2.7083	2.6306	2.6306	1.0875	1.0861	1.0861	3.3715	3.3715
S2	1.7915		1.6839	1.4520	1.4520	2.3439	2.3732	2.3732	2.2375	2.2375
N3	2.7083	1.6839		2.5356	2.5356	3.6432	2.8891	2.8891	1.0126	1.0126
O4	2.6306	1.4520	2.5356		2.5350	2.8868	2.8167	3.5329	2.5042	3.2426
O5	2.6306	1.4520	2.5356	2.5350		2.8868	3.5329	2.8167	3.2426	2.5042
H6	1.0875	2.3439	3.6432	2.8868	2.8868		1.7894	1.7894	4.2559	4.2559
H7	1.0861	2.3732	2.8891	2.8167	3.5329	1.7894		1.7939	3.3167	3.7422
H8	1.0861	2.3732	2.8891	3.5329	2.8167	1.7894	1.7939		3.7422	3.3167
H9	3.3715	2.2375	1.0126	2.5042	3.2426	4.2559	3.3167	3.7422		1.6741
H10	3.3715	2.2375	1.0126	3.2426	2.5042	4.2559	3.7422	3.3167	1.6741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.346	C1	S2	O4	107.937
C1	S2	O5	107.937	S2	C1	H6	106.430
S2	C1	H7	108.627	S2	C1	H8	108.627
S2	N3	H9	109.622	S2	N3	H10	109.622
N3	S2	O4	107.683	N3	S2	O5	107.683
O4	S2	O5	121.601	H6	C1	H7	110.820
H6	C1	H8	110.820	H7	C1	H8	111.345
H9	N3	H10	111.505

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B3LYPultrafine/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	-0.282
2	S	0.872
3	N	-0.352
4	O	-0.461
5	O	-0.461
6	H	0.121
7	H	0.116
8	H	0.116
9	H	0.165
10	H	0.165

	x	y	z	Total
	-1.673	2.987	0.000	3.424
CHELPG
AIM
ESP

	x	y	z
x	6.864	0.353	0.000
y	0.353	6.517	0.000
z	0.000	0.000	6.517

<r²>	120.980
(<r²>)^1/2	10.999

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)