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	hartrees
Energy at 0K	-644.080753
Energy at 298.15K	-644.088398
HF Energy	-644.080753
Nuclear repulsion energy	274.755846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3520	3385	34.79
2	A'	3211	3087	0.13
3	A'	3086	2968	0.05
4	A'	1561	1501	34.05
5	A'	1417	1362	5.99
6	A'	1312	1261	15.92
7	A'	1110	1068	160.98
8	A'	965	928	24.73
9	A'	880	846	75.61
10	A'	724	696	53.72
11	A'	700	673	150.50
12	A'	478	460	48.82
13	A'	449	432	11.32
14	A'	282	271	5.72
15	A"	3634	3494	49.36
16	A"	3218	3094	0.01
17	A"	1418	1363	1.28
18	A"	1310	1260	243.64
19	A"	1090	1048	8.58
20	A"	949	913	1.07
21	A"	373	359	0.01
22	A"	316	304	2.98
23	A"	204	196	7.03
24	A"	175	169	30.71

Atom	x (Å)	y (Å)	z (Å)
C1	-1.682	-0.054	0.000
S2	0.102	-0.133	0.000
N3	0.535	1.508	0.000
O4	0.535	-0.708	1.292
O5	0.535	-0.708	-1.292
H6	-2.031	-1.092	0.000
H7	-1.999	0.472	0.906
H8	-1.999	0.472	-0.906
H9	1.090	1.682	0.835
H10	1.090	1.682	-0.835

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7856	2.7118	2.6480	2.6480	1.0952	1.0941	1.0941	3.3755	3.3755
S2	1.7856		1.6969	1.4788	1.4788	2.3383	2.3660	2.3660	2.2287	2.2287
N3	2.7118	1.6969		2.5649	2.5649	3.6527	2.8836	2.8836	1.0179	1.0179
O4	2.6480	1.4788	2.5649		2.5830	2.8981	2.8213	3.5554	2.4955	3.2470
O5	2.6480	1.4788	2.5649	2.5830		2.8981	3.5554	2.8213	3.2470	2.4955
H6	1.0952	2.3383	3.6527	2.8981	2.8981		1.8072	1.8072	4.2580	4.2580
H7	1.0941	2.3660	2.8836	2.8213	3.5554	1.8072		1.8124	3.3181	3.7467
H8	1.0941	2.3660	2.8836	3.5554	2.8213	1.8072	1.8124		3.7467	3.3181
H9	3.3755	2.2287	1.0179	2.4955	3.2470	4.2580	3.3181	3.7467		1.6707
H10	3.3755	2.2287	1.0179	3.2470	2.4955	4.2580	3.7467	3.3181	1.6707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.254	C1	S2	O4	108.057
C1	S2	O5	108.057	S2	C1	H6	106.029
S2	C1	H7	108.077	S2	C1	H8	108.077
S2	N3	H9	107.721	S2	N3	H10	107.721
N3	S2	O4	107.539	N3	S2	O5	107.539
O4	S2	O5	121.704	H6	C1	H7	111.274
H6	C1	H8	111.274	H7	C1	H8	111.834
H9	N3	H10	110.305

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: PBE1PBE/aug-cc-pVDZ

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	0.221
2	S	1.893
3	N	-0.407
4	O	-0.868
5	O	-0.868
6	H	0.007
7	H	-0.031
8	H	-0.031
9	H	0.042
10	H	0.042

	x	y	z	Total
	-1.865	2.983	0.000	3.518
CHELPG
AIM
ESP

	x	y	z
x	7.763	0.239	0.000
y	0.239	7.413	0.000
z	0.000	0.000	7.371

<r²>	122.641
(<r²>)^1/2	11.074

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)