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	hartrees
Energy at 0K	-644.510876
Energy at 298.15K	-644.518722
HF Energy	-644.510876
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3561	3405	40.52
2	A'	3193	3053	0.18
3	A'	3088	2953	0.13
4	A'	1591	1521	42.17
5	A'	1464	1399	5.97
6	A'	1354	1295	20.67
7	A'	1194	1142	170.29
8	A'	988	945	38.15
9	A'	895	855	113.58
10	A'	741	708	20.37
11	A'	665	636	216.17
12	A'	511	488	47.52
13	A'	488	466	12.42
14	A'	299	286	4.73
15	A"	3671	3509	52.39
16	A"	3204	3063	0.40
17	A"	1460	1395	0.90
18	A"	1411	1349	257.79
19	A"	1100	1051	1.21
20	A"	976	933	1.14
21	A"	406	388	0.00
22	A"	339	324	2.66
23	A"	222	212	5.22
24	A"	184	176	29.33

Atom	x (Å)	y (Å)	z (Å)
C1	-1.668	-0.064	0.000
S2	0.107	-0.131	0.000
N3	0.530	1.481	0.000
O4	0.530	-0.695	1.258
O5	0.530	-0.695	-1.258
H6	-2.016	-1.094	0.000
H7	-1.995	0.453	0.897
H8	-1.995	0.453	-0.897
H9	1.048	1.705	0.838
H10	1.048	1.705	-0.838

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7765	2.6867	2.6098	2.6098	1.0873	1.0859	1.0859	3.3479	3.3479
S2	1.7765		1.6659	1.4417	1.4417	2.3316	2.3595	2.3595	2.2266	2.2266
N3	2.6867	1.6659		2.5128	2.5128	3.6212	2.8706	2.8706	1.0102	1.0102
O4	2.6098	1.4417	2.5128		2.5152	2.8677	2.7977	3.5127	2.4909	3.2280
O5	2.6098	1.4417	2.5128	2.5152		2.8677	3.5127	2.7977	3.2280	2.4909
H6	1.0873	2.3316	3.6212	2.8677	2.8677		1.7886	1.7886	4.2339	4.2339
H7	1.0859	2.3595	2.8706	2.7977	3.5127	1.7886		1.7937	3.2914	3.7202
H8	1.0859	2.3595	2.8706	3.5127	2.7977	1.7886	1.7937		3.7202	3.2914
H9	3.3479	2.2266	1.0102	2.4909	3.2280	4.2339	3.2914	3.7202		1.6761
H10	3.3479	2.2266	1.0102	3.2280	2.4909	4.2339	3.7202	3.2914	1.6761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.562	C1	S2	O4	107.926
C1	S2	O5	107.926	S2	C1	H6	106.518
S2	C1	H7	108.624	S2	C1	H8	108.624
S2	N3	H9	110.193	S2	N3	H10	110.193
N3	S2	O4	107.696	N3	S2	O5	107.696
O4	S2	O5	121.449	H6	C1	H7	110.772
H6	C1	H8	110.772	H7	C1	H8	111.364
H9	N3	H10	112.108

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: wB97X-D/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	-0.239
2	S	0.833
3	N	-0.328
4	O	-0.456
5	O	-0.456
6	H	0.111
7	H	0.105
8	H	0.105
9	H	0.162
10	H	0.162

	x	y	z	Total
	-1.688	3.081	0.000	3.513
CHELPG
AIM
ESP

	x	y	z
x	6.644	0.304	0.000
y	0.304	6.350	0.000
z	0.000	0.000	6.400

<r²>	119.250
(<r²>)^1/2	10.920

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)