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	hartrees
Energy at 0K	-644.367012
Energy at 298.15K	-644.374388
HF Energy	-644.367012
Nuclear repulsion energy	270.741693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3396	3396	17.99
2	A'	3139	3139	0.79
3	A'	3016	3016	1.18
4	A'	1531	1531	23.51
5	A'	1396	1396	4.69
6	A'	1278	1278	5.80
7	A'	1039	1039	154.80
8	A'	944	944	13.81
9	A'	865	865	53.22
10	A'	684	684	118.90
11	A'	623	623	83.79
12	A'	444	444	33.95
13	A'	418	418	6.75
14	A'	270	270	4.98
15	A"	3507	3507	27.93
16	A"	3145	3145	1.11
17	A"	1395	1395	2.09
18	A"	1235	1235	208.67
19	A"	1058	1058	20.94
20	A"	931	931	0.17
21	A"	351	351	0.00
22	A"	300	300	2.27
23	A"	189	189	4.56
24	A"	152	152	33.21

Atom	x (Å)	y (Å)	z (Å)
C1	-1.706	-0.035	0.000
S2	0.106	-0.144	0.000
N3	0.539	1.544	0.000
O4	0.539	-0.725	1.310
O5	0.539	-0.725	-1.310
H6	-2.070	-1.071	0.000
H7	-2.008	0.499	0.909
H8	-2.008	0.499	-0.909
H9	1.116	1.691	0.832
H10	1.116	1.691	-0.832

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.8157	2.7444	2.6887	2.6887	1.0981	1.0972	1.0972	3.4116	3.4116
S2	1.8157		1.7424	1.4965	1.4965	2.3655	2.3901	2.3901	2.2541	2.2541
N3	2.7444	1.7424		2.6200	2.6200	3.6936	2.8990	2.8990	1.0239	1.0239
O4	2.6887	1.4965	2.6200		2.6191	2.9390	2.8540	3.5929	2.5301	3.2804
O5	2.6887	1.4965	2.6200	2.6191		2.9390	3.5929	2.8540	3.2804	2.5301
H6	1.0981	2.3655	3.6936	2.9390	2.9390		1.8159	1.8159	4.2984	4.2984
H7	1.0972	2.3901	2.8990	2.8540	3.5929	1.8159		1.8186	3.3452	3.7706
H8	1.0972	2.3901	2.8990	3.5929	2.8540	1.8159	1.8186		3.7706	3.3452
H9	3.4116	2.2541	1.0239	2.5301	3.2804	4.2984	3.3452	3.7706		1.6646
H10	3.4116	2.2541	1.0239	3.2804	2.5301	4.2984	3.7706	3.3452	1.6646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	100.922	C1	S2	O4	108.149
C1	S2	O5	108.149	S2	C1	H6	105.909
S2	C1	H7	107.708	S2	C1	H8	107.708
S2	N3	H9	106.221	S2	N3	H10	106.221
N3	S2	O4	107.740	N3	S2	O5	107.740
O4	S2	O5	122.109	H6	C1	H7	111.615
H6	C1	H8	111.615	H7	C1	H8	111.943
H9	N3	H10	108.756

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B97D3/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	0.397
2	S	1.742
3	N	-0.322
4	O	-0.798
5	O	-0.798
6	H	-0.068
7	H	-0.101
8	H	-0.101
9	H	0.024
10	H	0.024

	x	y	z	Total
	-1.804	2.748	0.000	3.287
CHELPG
AIM
ESP

	x	y	z
x	8.370	0.259	0.000
y	0.259	8.046	0.000
z	0.000	0.000	7.880

<r²>	125.743
(<r²>)^1/2	11.214

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)