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	hartrees
Energy at 0K	-644.606508
Energy at 298.15K	-644.614267
HF Energy	-644.606508
Nuclear repulsion energy	277.349159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3509	3392	35.07
2	A'	3161	3056	0.39
3	A'	3065	2962	0.26
4	A'	1587	1534	33.73
5	A'	1457	1408	5.36
6	A'	1351	1306	12.43
7	A'	1147	1108	165.45
8	A'	988	955	25.03
9	A'	872	843	108.98
10	A'	707	683	16.18
11	A'	661	639	222.87
12	A'	492	476	41.07
13	A'	472	456	10.35
14	A'	292	282	4.45
15	A"	3614	3493	45.50
16	A"	3170	3064	0.73
17	A"	1459	1410	1.03
18	A"	1360	1315	234.50
19	A"	1094	1057	3.43
20	A"	973	941	0.71
21	A"	395	382	0.04
22	A"	330	319	3.09
23	A"	218	211	4.72
24	A"	189	183	29.32

Atom	x (Å)	y (Å)	z (Å)
C1	-1.681	-0.063	0.000
S2	0.109	-0.133	0.000
N3	0.534	1.496	0.000
O4	0.534	-0.700	1.268
O5	0.534	-0.700	-1.268
H6	-2.029	-1.093	0.000
H7	-2.008	0.455	0.897
H8	-2.008	0.455	-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		1.7914	2.7089	2.6302	2.6302	1.0875	1.0861	1.0861	3.3720	3.3720
S2	1.7914		1.6840	1.4520	1.4520	2.3437	2.3730	2.3730	2.2374	2.2374
N3	2.7089	1.6840		2.5357	2.5357	3.6435	2.8897	2.8897	1.0126	1.0126
O4	2.6302	1.4520	2.5357		2.5350	2.8862	2.8162	3.5326	2.5042	3.2426
O5	2.6302	1.4520	2.5357	2.5350		2.8862	3.5326	2.8162	3.2426	2.5042
H6	1.0875	2.3437	3.6435	2.8862	2.8862		1.7894	1.7894	4.2562	4.2562
H7	1.0861	2.3730	2.8897	2.8162	3.5326	1.7894		1.7940	3.3174	3.7428
H8	1.0861	2.3730	2.8897	3.5326	2.8162	1.7894	1.7940		3.7428	3.3174
H9	3.3720	2.2374	1.0126	2.5042	3.2426	4.2562	3.3174	3.7428		1.6740
H10	3.3720	2.2374	1.0126	3.2426	2.5042	4.2562	3.7428	3.3174	1.6740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.376	C1	S2	O4	107.922
C1	S2	O5	107.922	S2	C1	H6	106.418
S2	C1	H7	108.622	S2	C1	H8	108.622
S2	N3	H9	109.615	S2	N3	H10	109.615
N3	S2	O4	107.685	N3	S2	O5	107.685
O4	S2	O5	121.603	H6	C1	H7	110.823
H6	C1	H8	110.823	H7	C1	H8	111.358
H9	N3	H10	111.493

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B3LYP/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	2.986	0.000	3.423
CHELPG
AIM
ESP

	x	y	z
x	6.863	0.354	0.000
y	0.354	6.518	0.000
z	0.000	0.000	6.517

<r²>	120.979
(<r²>)^1/2	10.999

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)