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	hartrees
Energy at 0K	-644.417388
Energy at 298.15K	-644.425077
HF Energy	-644.417388
Nuclear repulsion energy	275.513156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3530	3404	40.10
2	A'	3186	3072	0.05
3	A'	3078	2968	0.08
4	A'	1587	1530	43.83
5	A'	1448	1397	7.01
6	A'	1350	1302	14.07
7	A'	1123	1083	190.35
8	A'	985	950	25.12
9	A'	865	835	119.24
10	A'	708	683	10.27
11	A'	665	641	234.23
12	A'	484	467	47.50
13	A'	457	440	11.06
14	A'	285	275	5.04
15	A"	3641	3511	48.63
16	A"	3194	3080	0.11
17	A"	1450	1398	1.62
18	A"	1336	1288	271.97
19	A"	1084	1045	4.20
20	A"	970	936	0.81
21	A"	388	374	0.00
22	A"	325	314	2.79
23	A"	217	210	1.33
24	A"	180	173	40.61

Atom	x (Å)	y (Å)	z (Å)
C1	-1.686	-0.063	0.000
S2	0.107	-0.135	0.000
N3	0.536	1.503	0.000
O4	0.536	-0.702	1.284
O5	0.536	-0.702	-1.284
H6	-2.035	-1.095	0.000
H7	-2.011	0.457	0.899
H8	-2.011	0.457	-0.899
H9	1.063	1.718	0.838
H10	1.063	1.718	-0.838

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7941	2.7181	2.6445	2.6445	1.0892	1.0879	1.0879	3.3805	3.3805
S2	1.7941		1.6936	1.4677	1.4677	2.3468	2.3759	2.3759	2.2474	2.2474
N3	2.7181	1.6936		2.5517	2.5517	3.6547	2.8968	2.8968	1.0131	1.0131
O4	2.6445	1.4677	2.5517		2.5679	2.9004	2.8250	3.5491	2.5164	3.2616
O5	2.6445	1.4677	2.5517	2.5679		2.9004	3.5491	2.8250	3.2616	2.5164
H6	1.0892	2.3468	3.6547	2.9004	2.9004		1.7929	1.7929	4.2671	4.2671
H7	1.0879	2.3759	2.8968	2.8250	3.5491	1.7929		1.7973	3.3233	3.7494
H8	1.0879	2.3759	2.8968	3.5491	2.8250	1.7929	1.7973		3.7494	3.3233
H9	3.3805	2.2474	1.0131	2.5164	3.2616	4.2671	3.3233	3.7494		1.6766
H10	3.3805	2.2474	1.0131	3.2616	2.5164	4.2671	3.7494	3.3233	1.6766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.365	C1	S2	O4	107.926
C1	S2	O5	107.926	S2	C1	H6	106.386
S2	C1	H7	108.562	S2	C1	H8	108.562
S2	N3	H9	109.688	S2	N3	H10	109.688
N3	S2	O4	107.428	N3	S2	O5	107.428
O4	S2	O5	122.049	H6	C1	H7	110.878
H6	C1	H8	110.878	H7	C1	H8	111.392
H9	N3	H10	111.677

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B3PW91/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	-0.375
2	S	0.682
3	N	-0.524
4	O	-0.397
5	O	-0.397
6	H	0.169
7	H	0.156
8	H	0.156
9	H	0.265
10	H	0.265

	x	y	z	Total
	-1.771	3.078	0.000	3.551
CHELPG
AIM
ESP

	x	y	z
x	6.658	0.270	0.000
y	0.270	6.410	0.000
z	0.000	0.000	6.694

<r²>	122.314
(<r²>)^1/2	11.060

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B3PW91/TZVP

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)