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	hartrees
Energy at 0K	-644.488294
Energy at 298.15K	-644.495977
HF Energy	-644.488294
Nuclear repulsion energy	278.070133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3458	3413	24.97
2	A'	3113	3072	1.22
3	A'	3012	2973	1.31
4	A'	1556	1536	31.51
5	A'	1430	1412	4.62
6	A'	1321	1304	10.87
7	A'	1133	1118	156.20
8	A'	966	953	21.76
9	A'	849	838	100.90
10	A'	695	686	14.24
11	A'	629	621	211.69
12	A'	490	483	33.68
13	A'	466	460	4.16
14	A'	292	288	4.18
15	A"	3565	3519	39.17
16	A"	3121	3080	1.79
17	A"	1432	1413	0.19
18	A"	1347	1329	242.43
19	A"	1070	1056	2.83
20	A"	953	940	0.92
21	A"	392	387	0.12
22	A"	330	325	2.36
23	A"	221	218	2.47
24	A"	179	176	30.06

Atom	x (Å)	y (Å)	z (Å)
C1	-1.674	-0.059	0.000
S2	0.111	-0.136	0.000
N3	0.529	1.494	0.000
O4	0.529	-0.699	1.264
O5	0.529	-0.699	-1.264
H6	-2.028	-1.091	0.000
H7	-2.000	0.462	0.900
H8	-2.000	0.462	-0.900
H9	1.061	1.710	0.838
H10	1.061	1.710	-0.838

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7865	2.6953	2.6192	2.6192	1.0913	1.0900	1.0900	3.3634	3.3634
S2	1.7865		1.6822	1.4456	1.4456	2.3427	2.3719	2.3719	2.2388	2.2388
N3	2.6953	1.6822		2.5307	2.5307	3.6361	2.8762	2.8762	1.0158	1.0158
O4	2.6192	1.4456	2.5307		2.5281	2.8793	2.8072	3.5256	2.5035	3.2410
O5	2.6192	1.4456	2.5307	2.5281		2.8793	3.5256	2.8072	3.2410	2.5035
H6	1.0913	2.3427	3.6361	2.8793	2.8793		1.7957	1.7957	4.2536	4.2536
H7	1.0900	2.3719	2.8762	2.8072	3.5256	1.7957		1.7995	3.3067	3.7349
H8	1.0900	2.3719	2.8762	3.5256	2.8072	1.7957	1.7995		3.7349	3.3067
H9	3.3634	2.2388	1.0158	2.5035	3.2410	4.2536	3.3067	3.7349		1.6758
H10	3.3634	2.2388	1.0158	3.2410	2.5035	4.2536	3.7349	3.3067	1.6758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.255	C1	S2	O4	107.475
C1	S2	O5	107.475	S2	C1	H6	106.689
S2	C1	H7	109.034	S2	C1	H8	109.034
S2	N3	H9	111.629	S2	N3	H10	111.629
N3	S2	O4	107.931	N3	S2	O5	107.931
O4	S2	O5	122.036	H6	C1	H7	110.499
H6	C1	H8	110.499	H7	C1	H8	110.971
H9	N3	H10	112.704

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.269
2	S	0.758
3	N	-0.454
4	O	-0.458
5	O	-0.458
6	H	0.162
7	H	0.157
8	H	0.157
9	H	0.203
10	H	0.203

	x	y	z	Total
	-1.594	2.870	0.000	3.283
CHELPG
AIM
ESP

	x	y	z
x	7.864	0.247	0.000
y	0.247	7.491	0.000
z	0.000	0.000	7.314

<r²>	120.489
(<r²>)^1/2	10.977

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)