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	hartrees
Energy at 0K	-640.995044
Energy at 298.15K	-641.001951
HF Energy	-640.995044
Nuclear repulsion energy	259.569278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3324	3208	12.35
2	A'	3222	3109	0.21
3	A'	3109	3000	0.05
4	A'	1616	1560	26.52
5	A'	1501	1448	12.90
6	A'	1389	1340	5.10
7	A'	1027	991	32.29
8	A'	920	887	96.26
9	A'	886	855	50.65
10	A'	620	599	63.57
11	A'	548	528	134.19
12	A'	399	385	10.89
13	A'	336	324	47.15
14	A'	242	234	3.76
15	A"	3457	3335	16.00
16	A"	3227	3114	0.26
17	A"	1508	1455	11.98
18	A"	1185	1143	47.50
19	A"	1030	994	21.03
20	A"	974	940	0.42
21	A"	293	283	0.50
22	A"	237	229	11.79
23	A"	154	148	34.84
24	A"	141	136	19.98

Atom	x (Å)	y (Å)	z (Å)
C1	-0.545	1.679	0.000
S2	-0.123	-0.144	0.000
N3	1.679	0.029	0.000
O4	-0.545	-0.814	1.377
O5	-0.545	-0.814	-1.377
H6	-1.631	1.765	0.000
H7	-0.101	2.098	0.901
H8	-0.101	2.098	-0.901
H9	2.019	-0.449	0.849
H10	2.019	-0.449	-0.849

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.8713	2.7689	2.8479	2.8479	1.0889	1.0882	1.0882	3.4382	3.4382
S2	1.8713		1.8102	1.5884	1.5884	2.4333	2.4166	2.4166	2.3240	2.3240
N3	2.7689	1.8102		2.7486	2.7486	3.7373	2.8740	2.8740	1.0318	1.0318
O4	2.8479	1.5884	2.7486		2.7536	3.1192	2.9842	3.7237	2.6435	3.4150
O5	2.8479	1.5884	2.7486	2.7536		3.1192	3.7237	2.9842	3.4150	2.6435
H6	1.0889	2.4333	3.7373	3.1192	3.1192		1.8056	1.8056	4.3524	4.3524
H7	1.0882	2.4166	2.8740	2.9842	3.7237	1.8056		1.8014	3.3143	3.7473
H8	1.0882	2.4166	2.8740	3.7237	2.9842	1.8056	1.8014		3.7473	3.3143
H9	3.4382	2.3240	1.0318	2.6435	3.4150	4.3524	3.3143	3.7473		1.6975
H10	3.4382	2.3240	1.0318	3.4150	2.6435	4.3524	3.7473	3.3143	1.6975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	97.536	C1	S2	O4	110.544
C1	S2	O5	110.544	S2	C1	H6	107.620
S2	C1	H7	106.462	S2	C1	H8	106.462
S2	N3	H9	106.477	S2	N3	H10	106.477
N3	S2	O4	107.767	N3	S2	O5	107.767
O4	S2	O5	120.181	H6	C1	H7	112.076
H6	C1	H8	112.076	H7	C1	H8	111.730
H9	N3	H10	110.692

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B3LYP/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	-0.869
2	S	1.386
3	N	-0.804
4	O	-0.567
5	O	-0.567
6	H	0.261
7	H	0.265
8	H	0.265
9	H	0.315
10	H	0.315

	x	y	z	Total
	2.154	2.670	0.000	3.430
CHELPG
AIM
ESP

	x	y	z
x	6.159	-0.294	0.000
y	-0.294	5.854	0.000
z	0.000	0.000	6.121

<r²>	134.393
(<r²>)^1/2	11.593

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)