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	hartrees
Energy at 0K	-644.396966
Energy at 298.15K	-644.404614
HF Energy	-644.396966
Nuclear repulsion energy	275.938657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3514	3378	34.83
2	A'	3222	3097	0.09
3	A'	3098	2978	0.08
4	A'	1565	1505	30.06
5	A'	1422	1367	6.37
6	A'	1317	1266	16.18
7	A'	1139	1095	180.05
8	A'	965	928	31.08
9	A'	891	856	87.95
10	A'	729	701	84.27
11	A'	713	685	143.69
12	A'	482	463	52.93
13	A'	458	440	15.88
14	A'	285	274	4.80
15	A"	3625	3484	47.38
16	A"	3231	3105	0.00
17	A"	1425	1370	0.14
18	A"	1355	1302	224.41
19	A"	1090	1048	6.77
20	A"	946	909	1.30
21	A"	377	362	0.07
22	A"	312	300	2.41
23	A"	211	203	0.32
24	A"	159	153	43.27

Atom	x (Å)	y (Å)	z (Å)
C1	-1.673	-0.044	0.000
S2	0.104	-0.135	0.000
N3	0.530	1.503	0.000
O4	0.530	-0.706	1.285
O5	0.530	-0.706	-1.285
H6	-2.035	-1.077	0.000
H7	-1.994	0.481	0.904
H8	-1.994	0.481	-0.904
H9	1.099	1.661	0.831
H10	1.099	1.661	-0.831

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7797	2.6921	2.6353	2.6353	1.0949	1.0935	1.0935	3.3587	3.3587
S2	1.7797		1.6929	1.4695	1.4695	2.3375	2.3664	2.3664	2.2149	2.2149
N3	2.6921	1.6929		2.5560	2.5560	3.6385	2.8696	2.8696	1.0197	1.0197
O4	2.6353	1.4695	2.5560		2.5708	2.8931	2.8151	3.5460	2.4761	3.2258
O5	2.6353	1.4695	2.5560	2.5708		2.8931	3.5460	2.8151	3.2258	2.4761
H6	1.0949	2.3375	3.6385	2.8931	2.8931		1.8017	1.8017	4.2437	4.2437
H7	1.0935	2.3664	2.8696	2.8151	3.5460	1.8017		1.8084	3.3112	3.7378
H8	1.0935	2.3664	2.8696	3.5460	2.8151	1.8017	1.8084		3.7378	3.3112
H9	3.3587	2.2149	1.0197	2.4761	3.2258	4.2437	3.3112	3.7378		1.6629
H10	3.3587	2.2149	1.0197	3.2258	2.4761	4.2437	3.7378	3.3112	1.6629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.628	C1	S2	O4	108.020
C1	S2	O5	108.020	S2	C1	H6	106.363
S2	C1	H7	108.524	S2	C1	H8	108.524
S2	N3	H9	106.846	S2	N3	H10	106.846
N3	S2	O4	107.641	N3	S2	O5	107.641
O4	S2	O5	122.022	H6	C1	H7	110.838
H6	C1	H8	110.838	H7	C1	H8	111.561
H9	N3	H10	109.258

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: B1B95/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	-0.134
2	S	0.800
3	N	-0.290
4	O	-0.457
5	O	-0.457
6	H	0.093
7	H	0.082
8	H	0.082
9	H	0.140
10	H	0.140

	x	y	z	Total
	-1.558	2.815	0.000	3.218
CHELPG
AIM
ESP

	x	y	z
x	6.005	0.398	0.000
y	0.398	5.722	0.000
z	0.000	0.000	5.925

<r²>	121.185
(<r²>)^1/2	11.008

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)