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	hartrees
Energy at 0K	-644.109272
Energy at 298.15K	-644.117073
HF Energy	-644.109272
Nuclear repulsion energy	278.240090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3568	3420	37.66
2	A'	3200	3067	0.39
3	A'	3093	2965	0.41
4	A'	1656	1588	53.22
5	A'	1469	1408	8.15
6	A'	1378	1321	23.98
7	A'	1161	1113	200.56
8	A'	1007	966	30.95
9	A'	900	862	127.91
10	A'	742	711	11.59
11	A'	669	642	259.41
12	A'	503	482	50.27
13	A'	476	457	10.89
14	A'	297	285	4.82
15	A"	3677	3524	43.30
16	A"	3210	3077	0.67
17	A"	1468	1407	1.53
18	A"	1384	1327	268.41
19	A"	1126	1080	1.86
20	A"	990	949	1.48
21	A"	404	387	0.18
22	A"	333	319	2.58
23	A"	232	223	0.12
24	A"	172	165	42.40

Atom	x (Å)	y (Å)	z (Å)
C1	-1.667	-0.060	0.000
S2	0.109	-0.135	0.000
N3	0.530	1.485	0.000
O4	0.530	-0.697	1.269
O5	0.530	-0.697	-1.269
H6	-2.027	-1.089	0.000
H7	-1.999	0.459	0.898
H8	-1.999	0.459	-0.898
H9	1.049	1.719	0.837
H10	1.049	1.719	-0.837

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7778	2.6864	2.6160	2.6160	1.0900	1.0885	1.0885	3.3528	3.3528
S2	1.7778		1.6737	1.4499	1.4499	2.3393	2.3664	2.3664	2.2402	2.2402
N3	2.6864	1.6737		2.5237	2.5237	3.6284	2.8728	2.8728	1.0116	1.0116
O4	2.6160	1.4499	2.5237		2.5371	2.8813	2.8050	3.5245	2.5079	3.2457
O5	2.6160	1.4499	2.5237	2.5371		2.8813	3.5245	2.8050	3.2457	2.5079
H6	1.0900	2.3393	3.6284	2.8813	2.8813		1.7898	1.7898	4.2477	4.2477
H7	1.0885	2.3664	2.8728	2.8050	3.5245	1.7898		1.7950	3.2980	3.7256
H8	1.0885	2.3664	2.8728	3.5245	2.8050	1.7898	1.7950		3.7256	3.2980
H9	3.3528	2.2402	1.0116	2.5079	3.2457	4.2477	3.2980	3.7256		1.6732
H10	3.3528	2.2402	1.0116	3.2457	2.5079	4.2477	3.7256	3.2980	1.6732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	102.171	C1	S2	O4	107.851
C1	S2	O5	107.851	S2	C1	H6	106.852
S2	C1	H7	108.911	S2	C1	H8	108.911
S2	N3	H9	110.643	S2	N3	H10	110.643
N3	S2	O4	107.574	N3	S2	O5	107.574
O4	S2	O5	122.060	H6	C1	H7	110.483
H6	C1	H8	110.483	H7	C1	H8	111.083
H9	N3	H10	111.584

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: PBE1PBE/6-311G*

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	-0.818
2	S	1.082
3	N	-0.886
4	O	-0.506
5	O	-0.506
6	H	0.289
7	H	0.277
8	H	0.277
9	H	0.395
10	H	0.395

	x	y	z	Total
	-1.696	3.253	0.000	3.668
CHELPG
AIM
ESP

	x	y	z
x	6.116	0.288	0.000
y	0.288	5.829	0.000
z	0.000	0.000	6.005

<r²>	120.415
(<r²>)^1/2	10.973

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: PBE1PBE/6-311G*

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)