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	hartrees
Energy at 0K	-644.161301
Energy at 298.15K	-644.168835
HF Energy	-644.161301
Nuclear repulsion energy	274.940771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3414	3376	26.72
2	A'	3103	3068	0.13
3	A'	3000	2966	0.15
4	A'	1527	1510	29.45
5	A'	1400	1384	5.48
6	A'	1282	1268	12.82
7	A'	1096	1084	150.85
8	A'	942	932	21.49
9	A'	840	831	81.40
10	A'	684	677	35.65
11	A'	640	633	182.26
12	A'	469	463	33.33
13	A'	444	439	6.72
14	A'	277	274	4.59
15	A"	3517	3478	40.58
16	A"	3110	3075	0.17
17	A"	1400	1385	0.89
18	A"	1303	1288	232.31
19	A"	1051	1039	5.45
20	A"	927	916	1.08
21	A"	372	368	0.12
22	A"	311	308	2.27
23	A"	207	204	3.49
24	A"	170	168	30.76

Atom	x (Å)	y (Å)	z (Å)
C1	-1.688	-0.053	0.000
S2	0.108	-0.136	0.000
N3	0.534	1.512	0.000
O4	0.534	-0.709	1.283
O5	0.534	-0.709	-1.283
H6	-2.042	-1.090	0.000
H7	-2.011	0.472	0.905
H8	-2.011	0.472	-0.905
H9	1.086	1.700	0.839
H10	1.086	1.700	-0.839

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7985	2.7184	2.6490	2.6490	1.0957	1.0944	1.0944	3.3877	3.3877
S2	1.7985		1.7030	1.4680	1.4680	2.3522	2.3829	2.3829	2.2440	2.2440
N3	2.7184	1.7030		2.5649	2.5649	3.6618	2.8944	2.8944	1.0220	1.0220
O4	2.6490	1.4680	2.5649		2.5657	2.9034	2.8311	3.5577	2.5110	3.2577
O5	2.6490	1.4680	2.5649	2.5657		2.9034	3.5577	2.8311	3.2577	2.5110
H6	1.0957	2.3522	3.6618	2.9034	2.9034		1.8052	1.8052	4.2751	4.2751
H7	1.0944	2.3829	2.8944	2.8311	3.5577	1.8052		1.8093	3.3322	3.7605
H8	1.0944	2.3829	2.8944	3.5577	2.8311	1.8052	1.8093		3.7605	3.3322
H9	3.3877	2.2440	1.0220	2.5110	3.2577	4.2751	3.3322	3.7605		1.6789
H10	3.3877	2.2440	1.0220	3.2577	2.5110	4.2751	3.7605	3.3322	1.6789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.827	C1	S2	O4	107.954
C1	S2	O5	107.954	S2	C1	H6	106.172
S2	C1	H7	108.451	S2	C1	H8	108.451
S2	N3	H9	108.261	S2	N3	H10	108.261
N3	S2	O4	107.743	N3	S2	O5	107.743
O4	S2	O5	121.827	H6	C1	H7	111.024
H6	C1	H8	111.024	H7	C1	H8	111.507
H9	N3	H10	110.439

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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	-0.619
2	S	1.851
3	N	-0.371
4	O	-0.813
5	O	-0.813
6	H	0.201
7	H	0.201
8	H	0.201
9	H	0.082
10	H	0.082

	x	y	z	Total
	-1.666	2.820	0.000	3.275
CHELPG
AIM
ESP

	x	y	z
x	8.266	0.274	0.000
y	0.274	7.867	0.000
z	0.000	0.000	7.679

<r²>	122.777
(<r²>)^1/2	11.080

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)