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	hartrees
Energy at 0K	-644.001472
Energy at 298.15K	-644.008971
HF Energy	-644.001472
Nuclear repulsion energy	273.239019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3416	3369	24.04
2	A'	3130	3087	0.20
3	A'	3019	2978	0.06
4	A'	1544	1523	33.49
5	A'	1420	1400	6.59
6	A'	1313	1295	12.19
7	A'	1100	1085	159.50
8	A'	960	947	20.80
9	A'	862	850	90.03
10	A'	698	689	71.33
11	A'	648	640	184.11
12	A'	465	459	30.45
13	A'	441	435	12.78
14	A'	276	273	4.66
15	A"	3532	3483	31.79
16	A"	3137	3094	0.35
17	A"	1420	1400	1.23
18	A"	1322	1304	198.77
19	A"	1056	1042	4.02
20	A"	946	933	1.89
21	A"	372	366	0.24
22	A"	305	301	2.52
23	A"	220	217	0.20
24	A"	148	146	45.97

Atom	x (Å)	y (Å)	z (Å)
C1	-1.691	-0.042	0.000
S2	0.110	-0.141	0.000
N3	0.534	1.523	0.000
O4	0.534	-0.715	1.295
O5	0.534	-0.715	-1.295
H6	-2.066	-1.076	0.000
H7	-2.017	0.487	0.905
H8	-2.017	0.487	-0.905
H9	1.100	1.696	0.838
H10	1.100	1.696	-0.838

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.8041	2.7212	2.6614	2.6614	1.0990	1.0978	1.0978	3.3934	3.3934
S2	1.8041		1.7177	1.4789	1.4789	2.3683	2.3957	2.3957	2.2486	2.2486
N3	2.7212	1.7177		2.5863	2.5863	3.6765	2.8989	2.8989	1.0258	1.0258
O4	2.6614	1.4789	2.5863		2.5906	2.9273	2.8475	3.5771	2.5181	3.2685
O5	2.6614	1.4789	2.5863	2.5906		2.9273	3.5771	2.8475	3.2685	2.5181
H6	1.0990	2.3683	3.6765	2.9273	2.9273		1.8062	1.8062	4.2903	4.2903
H7	1.0978	2.3957	2.8989	2.8475	3.5771	1.8062		1.8094	3.3444	3.7706
H8	1.0978	2.3957	2.8989	3.5771	2.8475	1.8062	1.8094		3.7706	3.3444
H9	3.3934	2.2486	1.0258	2.5181	3.2685	4.2903	3.3444	3.7706		1.6762
H10	3.3934	2.2486	1.0258	3.2685	2.5181	4.2903	3.7706	3.3444	1.6762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.158	C1	S2	O4	107.912
C1	S2	O5	107.912	S2	C1	H6	106.803
S2	C1	H7	108.849	S2	C1	H8	108.849
S2	N3	H9	107.388	S2	N3	H10	107.388
N3	S2	O4	107.777	N3	S2	O5	107.777
O4	S2	O5	122.294	H6	C1	H7	110.609
H6	C1	H8	110.609	H7	C1	H8	110.998
H9	N3	H10	109.567

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: PBEPBE/6-31G**

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	-0.532
2	S	1.039
3	N	-0.689
4	O	-0.480
5	O	-0.480
6	H	0.188
7	H	0.181
8	H	0.181
9	H	0.296
10	H	0.296

	x	y	z	Total
	-1.402	2.727	0.000	3.066
CHELPG
AIM
ESP

	x	y	z
x	6.186	0.389	0.000
y	0.389	6.052	0.000
z	0.000	0.000	6.151

<r²>	123.397
(<r²>)^1/2	11.108

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)