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	hartrees
Energy at 0K	-644.486248
Energy at 298.15K	-644.493626
HF Energy	-644.486248
Nuclear repulsion energy	269.838198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3378	3369	23.19
2	A'	3100	3092	0.51
3	A'	3001	2993	0.56
4	A'	1547	1544	30.81
5	A'	1421	1417	6.00
6	A'	1308	1304	4.66
7	A'	1034	1031	172.65
8	A'	953	951	16.18
9	A'	838	836	81.43
10	A'	659	657	125.19
11	A'	599	597	114.40
12	A'	440	439	32.13
13	A'	415	414	6.32
14	A'	266	266	4.53
15	A"	3482	3474	28.10
16	A"	3107	3099	0.71
17	A"	1421	1417	3.09
18	A"	1240	1237	218.70
19	A"	1044	1042	15.35
20	A"	942	940	0.08
21	A"	358	357	0.00
22	A"	302	301	2.61
23	A"	204	203	0.89
24	A"	162	162	42.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.722	-0.050	0.000
S2	0.112	-0.146	0.000
N3	0.543	1.550	0.000
O4	0.543	-0.722	1.310
O5	0.543	-0.722	-1.310
H6	-2.080	-1.084	0.000
H7	-2.036	0.478	0.904
H8	-2.036	0.478	-0.904
H9	1.101	1.732	0.839
H10	1.101	1.732	-0.839

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.8372	2.7736	2.7019	2.7019	1.0943	1.0931	1.0931	3.4424	3.4424
S2	1.8372		1.7505	1.4946	1.4946	2.3849	2.4133	2.4133	2.2825	2.2825
N3	2.7736	1.7505		2.6232	2.6232	3.7178	2.9360	2.9360	1.0237	1.0237
O4	2.7019	1.4946	2.6232		2.6204	2.9547	2.8737	3.6051	2.5609	3.3097
O5	2.7019	1.4946	2.6232	2.6204		2.9547	3.6051	2.8737	3.3097	2.5609
H6	1.0943	2.3849	3.7178	2.9547	2.9547		1.8054	1.8054	4.3308	4.3308
H7	1.0931	2.4133	2.9360	2.8737	3.6051	1.8054		1.8083	3.3792	3.8017
H8	1.0931	2.4133	2.9360	3.6051	2.8737	1.8054	1.8083		3.8017	3.3792
H9	3.4424	2.2825	1.0237	2.5609	3.3097	4.3308	3.3792	3.8017		1.6776
H10	3.4424	2.2825	1.0237	3.3097	2.5609	4.3308	3.8017	3.3792	1.6776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.236	C1	S2	O4	107.936
C1	S2	O5	107.936	S2	C1	H6	106.097
S2	C1	H7	108.190	S2	C1	H8	108.190
S2	N3	H9	107.842	S2	N3	H10	107.842
N3	S2	O4	107.612	N3	S2	O5	107.612
O4	S2	O5	122.481	H6	C1	H7	111.248
H6	C1	H8	111.248	H7	C1	H8	111.617
H9	N3	H10	110.050

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: BLYP/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	-0.353
2	S	0.645
3	N	-0.495
4	O	-0.371
5	O	-0.371
6	H	0.161
7	H	0.148
8	H	0.148
9	H	0.244
10	H	0.244

	x	y	z	Total
	-1.682	2.807	0.000	3.272
CHELPG
AIM
ESP

	x	y	z
x	7.306	0.360	0.000
y	0.360	7.039	0.000
z	0.000	0.000	7.204

<r²>	127.028
(<r²>)^1/2	11.271

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)