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	hartrees
Energy at 0K	-644.517032
Energy at 298.15K	-644.524864
HF Energy	-644.517032
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3561	3406	39.42
2	A'	3192	3053	0.12
3	A'	3088	2954	0.12
4	A'	1590	1521	42.74
5	A'	1464	1400	6.08
6	A'	1354	1295	19.14
7	A'	1185	1133	169.75
8	A'	987	944	34.14
9	A'	889	851	109.59
10	A'	739	707	16.95
11	A'	655	627	205.55
12	A'	509	487	46.20
13	A'	485	464	10.69
14	A'	298	285	4.73
15	A"	3669	3509	56.73
16	A"	3202	3063	0.24
17	A"	1458	1395	0.02
18	A"	1396	1336	280.97
19	A"	1096	1049	1.45
20	A"	975	933	1.25
21	A"	405	387	0.00
22	A"	338	324	2.60
23	A"	223	213	5.94
24	A"	184	176	27.63

Atom	x (Å)	y (Å)	z (Å)
C1	-1.669	-0.066	0.000
S2	0.107	-0.130	0.000
N3	0.531	1.481	0.000
O4	0.531	-0.695	1.258
O5	0.531	-0.695	-1.258
H6	-2.014	-1.097	0.000
H7	-1.996	0.451	0.897
H8	-1.996	0.451	-0.897
H9	1.045	1.710	0.839
H10	1.045	1.710	-0.839

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7766	2.6891	2.6112	2.6112	1.0872	1.0859	1.0859	3.3497	3.3497
S2	1.7766		1.6653	1.4430	1.4430	2.3308	2.3587	2.3587	2.2292	2.2292
N3	2.6891	1.6653		2.5130	2.5130	3.6222	2.8725	2.8725	1.0101	1.0101
O4	2.6112	1.4430	2.5130		2.5161	2.8675	2.7983	3.5135	2.4948	3.2321
O5	2.6112	1.4430	2.5130	2.5161		2.8675	3.5135	2.7983	3.2321	2.4948
H6	1.0872	2.3308	3.6222	2.8675	2.8675		1.7892	1.7892	4.2354	4.2354
H7	1.0859	2.3587	2.8725	2.7983	3.5135	1.7892		1.7943	3.2915	3.7209
H8	1.0859	2.3587	2.8725	3.5135	2.7983	1.7892	1.7943		3.7209	3.2915
H9	3.3497	2.2292	1.0101	2.4948	3.2321	4.2354	3.2915	3.7209		1.6781
H10	3.3497	2.2292	1.0101	3.2321	2.4948	4.2354	3.7209	3.2915	1.6781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.707	C1	S2	O4	107.946
C1	S2	O5	107.946	S2	C1	H6	106.451
S2	C1	H7	108.557	S2	C1	H8	108.557
S2	N3	H9	110.457	S2	N3	H10	110.457
N3	S2	O4	107.682	N3	S2	O5	107.682
O4	S2	O5	121.336	H6	C1	H7	110.837
H6	C1	H8	110.837	H7	C1	H8	111.421
H9	N3	H10	112.330

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: wB97X-D/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	-0.806
2	S	2.042
3	N	-0.401
4	O	-0.892
5	O	-0.892
6	H	0.256
7	H	0.255
8	H	0.255
9	H	0.091
10	H	0.091

	x	y	z	Total
	-1.786	3.098	0.000	3.576
CHELPG
AIM
ESP

	x	y	z
x	7.513	0.223	0.000
y	0.223	7.180	0.000
z	0.000	0.000	7.076

<r²>	119.545
(<r²>)^1/2	10.934

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)