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	hartrees
Energy at 0K	-642.301674
Energy at 298.15K	-642.309244
HF Energy	-642.301674
Nuclear repulsion energy	276.093938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3438	3398	51.16
2	A'	3116	3080	1.11
3	A'	3004	2969	0.51
4	A'	1502	1484	54.84
5	A'	1374	1358	9.15
6	A'	1280	1265	30.04
7	A'	1112	1099	170.20
8	A'	942	931	35.33
9	A'	845	835	121.15
10	A'	710	702	14.21
11	A'	609	602	229.13
12	A'	473	468	46.09
13	A'	440	435	7.49
14	A'	276	273	4.56
15	A"	3554	3513	62.62
16	A"	3124	3087	0.65
17	A"	1376	1361	0.29
18	A"	1325	1309	257.90
19	A"	1025	1013	1.04
20	A"	923	912	1.52
21	A"	375	371	0.36
22	A"	320	316	2.94
23	A"	217	214	1.15
24	A"	187	185	36.89

Atom	x (Å)	y (Å)	z (Å)
C1	-1.669	-0.067	0.000
S2	0.105	-0.134	0.000
N3	0.532	1.492	0.000
O4	0.532	-0.696	1.289
O5	0.532	-0.696	-1.289
H6	-2.019	-1.108	0.000
H7	-1.999	0.455	0.905
H8	-1.999	0.455	-0.905
H9	1.049	1.722	0.851
H10	1.049	1.722	-0.851

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7758	2.6982	2.6278	2.6278	1.0976	1.0963	1.0963	3.3640	3.3640
S2	1.7758		1.6817	1.4700	1.4700	2.3369	2.3659	2.3659	2.2496	2.2496
N3	2.6982	1.6817		2.5404	2.5404	3.6429	2.8820	2.8820	1.0221	1.0221
O4	2.6278	1.4700	2.5404		2.5786	2.8882	2.8079	3.5431	2.5115	3.2709
O5	2.6278	1.4700	2.5404	2.5786		2.8882	3.5431	2.8079	3.2709	2.5115
H6	1.0976	2.3369	3.6429	2.8882	2.8882		1.8063	1.8063	4.2599	4.2599
H7	1.0963	2.3659	2.8820	2.8079	3.5431	1.8063		1.8106	3.3018	3.7397
H8	1.0963	2.3659	2.8820	3.5431	2.8079	1.8063	1.8106		3.7397	3.3018
H9	3.3640	2.2496	1.0221	2.5115	3.2709	4.2599	3.3018	3.7397		1.7029
H10	3.3640	2.2496	1.0221	3.2709	2.5115	4.2599	3.7397	3.3018	1.7029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.559	C1	S2	O4	107.739
C1	S2	O5	107.739	S2	C1	H6	106.437
S2	C1	H7	108.601	S2	C1	H8	108.601
S2	N3	H9	110.221	S2	N3	H10	110.221
N3	S2	O4	107.231	N3	S2	O5	107.231
O4	S2	O5	122.583	H6	C1	H7	110.845
H6	C1	H8	110.845	H7	C1	H8	111.336
H9	N3	H10	112.822

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: LSDA/TZVP

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	-0.502
2	S	0.569
3	N	-0.544
4	O	-0.351
5	O	-0.351
6	H	0.213
7	H	0.198
8	H	0.198
9	H	0.285
10	H	0.285

	x	y	z	Total
	-1.694	3.088	0.000	3.522
CHELPG
AIM
ESP

	x	y	z
x	6.951	0.304	0.000
y	0.304	6.699	0.000
z	0.000	0.000	6.993

<r²>	121.815
(<r²>)^1/2	11.037

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: LSDA/TZVP

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)