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	hartrees
Energy at 0K	-641.197712
Energy at 298.15K	-641.205512
HF Energy	-641.197712
Nuclear repulsion energy	279.401110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3549	3389	50.64
2	A'	3193	3049	1.21
3	A'	3104	2964	0.46
4	A'	1636	1562	74.91
5	A'	1524	1455	8.43
6	A'	1443	1378	26.25
7	A'	1203	1149	188.25
8	A'	1039	992	53.62
9	A'	944	901	188.27
10	A'	778	743	63.19
11	A'	528	504	136.08
12	A'	486	464	29.80
13	A'	435	415	216.59
14	A'	306	292	2.56
15	A"	3683	3517	59.73
16	A"	3203	3059	1.84
17	A"	1529	1460	1.83
18	A"	1448	1383	224.05
19	A"	1065	1017	7.74
20	A"	1003	958	0.04
21	A"	434	415	0.75
22	A"	340	324	1.30
23	A"	255	243	0.06
24	A"	190	182	6.41

Atom	x (Å)	y (Å)	z (Å)
C1	-1.648	-0.068	0.000
S2	0.117	-0.133	0.000
N3	0.539	1.443	0.000
O4	0.539	-0.695	1.269
O5	0.539	-0.695	-1.269
H6	-2.035	-1.088	0.000
H7	-2.000	0.449	0.892
H8	-2.000	0.449	-0.892
H9	0.827	1.874	0.869
H10	0.827	1.874	-0.869

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7669	2.6583	2.6051	2.6051	1.0912	1.0896	1.0896	3.2642	3.2642
S2	1.7669		1.6311	1.4506	1.4506	2.3553	2.3704	2.3704	2.2991	2.2991
N3	2.6583	1.6311		2.4866	2.4866	3.6102	2.8686	2.8686	1.0122	1.0122
O4	2.6051	1.4506	2.4866		2.5378	2.8966	2.8106	3.5251	2.6161	3.3551
O5	2.6051	1.4506	2.4866	2.5378		2.8966	3.5251	2.8106	3.3551	2.6161
H6	1.0912	2.3553	3.6102	2.8966	2.8966		1.7781	1.7781	4.2100	4.2100
H7	1.0896	2.3704	2.8686	2.8106	3.5251	1.7781		1.7839	3.1660	3.6229
H8	1.0896	2.3704	2.8686	3.5251	2.8106	1.7781	1.7839		3.6229	3.1660
H9	3.2642	2.2991	1.0122	2.6161	3.3551	4.2100	3.1660	3.6229		1.7388
H10	3.2642	2.2991	1.0122	3.3551	2.6161	4.2100	3.6229	3.1660	1.7388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.873	C1	S2	O4	107.725
C1	S2	O5	107.725	S2	C1	H6	108.679
S2	C1	H7	109.887	S2	C1	H8	109.887
S2	N3	H9	118.992	S2	N3	H10	118.992
N3	S2	O4	107.442	N3	S2	O5	107.442
O4	S2	O5	122.026	H6	C1	H7	109.239
H6	C1	H8	109.239	H7	C1	H8	109.886
H9	N3	H10	118.386

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B1B95/3-21G*

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	-0.895
2	S	1.256
3	N	-0.854
4	O	-0.478
5	O	-0.478
6	H	0.259
7	H	0.248
8	H	0.248
9	H	0.348
10	H	0.348

	x	y	z	Total
	-1.828	3.824	0.000	4.239
CHELPG
AIM
ESP

	x	y	z
x	4.649	0.316	0.000
y	0.316	4.933	0.000
z	0.000	0.000	5.149

<r²>	118.888
(<r²>)^1/2	10.904

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)