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	hartrees
Energy at 0K	-644.418882
Energy at 298.15K	-644.426133
HF Energy	-644.418882
Nuclear repulsion energy	268.028149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3350	3343	19.10
2	A'	3107	3101	0.29
3	A'	2994	2988	0.56
4	A'	1513	1510	22.01
5	A'	1382	1380	5.03
6	A'	1261	1258	4.06
7	A'	1009	1008	152.03
8	A'	929	927	13.91
9	A'	855	853	49.75
10	A'	658	657	120.78
11	A'	590	589	76.97
12	A'	426	426	30.72
13	A'	401	401	5.67
14	A'	260	260	4.75
15	A"	3455	3448	28.41
16	A"	3113	3107	0.42
17	A"	1382	1379	2.89
18	A"	1202	1200	198.17
19	A"	1039	1037	25.66
20	A"	917	915	0.04
21	A"	340	339	0.02
22	A"	291	290	2.80
23	A"	181	181	14.09
24	A"	158	157	23.01

Atom	x (Å)	y (Å)	z (Å)
C1	-1.727	-0.039	0.000
S2	0.109	-0.146	0.000
N3	0.545	1.563	0.000
O4	0.545	-0.732	1.322
O5	0.545	-0.732	-1.322
H6	-2.088	-1.080	0.000
H7	-2.031	0.496	0.913
H8	-2.031	0.496	-0.913
H9	1.125	1.713	0.837
H10	1.125	1.713	-0.837

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.8392	2.7801	2.7183	2.7183	1.1015	1.1005	1.1005	3.4505	3.4505
S2	1.8392		1.7643	1.5099	1.5099	2.3864	2.4130	2.4130	2.2781	2.2781
N3	2.7801	1.7643		2.6487	2.6487	3.7302	2.9333	2.9333	1.0293	1.0293
O4	2.7183	1.5099	2.6487		2.6432	2.9658	2.8825	3.6239	2.5594	3.3126
O5	2.7183	1.5099	2.6487	2.6432		2.9658	3.6239	2.8825	3.3126	2.5594
H6	1.1015	2.3864	3.7302	2.9658	2.9658		1.8221	1.8221	4.3383	4.3383
H7	1.1005	2.4130	2.9333	2.8825	3.6239	1.8221		1.8252	3.3832	3.8079
H8	1.1005	2.4130	2.9333	3.6239	2.8825	1.8221	1.8252		3.8079	3.3832
H9	3.4505	2.2781	1.0293	2.5594	3.3126	4.3383	3.3832	3.8079		1.6732
H10	3.4505	2.2781	1.0293	3.3126	2.5594	4.3383	3.8079	3.3832	1.6732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	100.960	C1	S2	O4	108.114
C1	S2	O5	108.114	S2	C1	H6	105.736
S2	C1	H7	107.673	S2	C1	H8	107.673
S2	N3	H9	106.276	S2	N3	H10	106.276
N3	S2	O4	107.735	N3	S2	O5	107.735
O4	S2	O5	122.152	H6	C1	H7	111.677
H6	C1	H8	111.677	H7	C1	H8	112.036
H9	N3	H10	108.749

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: BLYP/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	0.722
2	S	1.698
3	N	-0.200
4	O	-0.774
5	O	-0.774
6	H	-0.189
7	H	-0.215
8	H	-0.215
9	H	-0.027
10	H	-0.027

	x	y	z	Total
	-1.856	2.742	0.000	3.311
CHELPG
AIM
ESP

	x	y	z
x	8.704	0.292	0.000
y	0.292	8.344	0.000
z	0.000	0.000	8.139

<r²>	128.330
(<r²>)^1/2	11.328

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)