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	hartrees
Energy at 0K	-644.153727
Energy at 298.15K	-644.161274
HF Energy	-644.153727
Nuclear repulsion energy	275.106663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3415	3392	25.61
2	A'	3104	3082	0.24
3	A'	3001	2980	0.15
4	A'	1530	1519	28.51
5	A'	1401	1391	5.35
6	A'	1283	1274	14.58
7	A'	1108	1100	148.06
8	A'	943	936	24.02
9	A'	849	843	82.59
10	A'	688	683	49.74
11	A'	647	642	184.23
12	A'	471	468	34.30
13	A'	447	444	7.67
14	A'	279	277	4.44
15	A"	3520	3495	34.79
16	A"	3111	3090	0.48
17	A"	1402	1392	0.41
18	A"	1322	1313	206.95
19	A"	1056	1048	4.46
20	A"	927	921	1.02
21	A"	374	372	0.11
22	A"	312	310	2.29
23	A"	204	202	2.77
24	A"	169	168	32.45

Atom	x (Å)	y (Å)	z (Å)
C1	-1.687	-0.050	0.000
S2	0.109	-0.138	0.000
N3	0.533	1.513	0.000
O4	0.533	-0.709	1.282
O5	0.533	-0.709	-1.282
H6	-2.045	-1.086	0.000
H7	-2.010	0.475	0.904
H8	-2.010	0.475	-0.904
H9	1.089	1.694	0.838
H10	1.089	1.694	-0.838

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.7987	2.7151	2.6470	2.6470	1.0958	1.0945	1.0945	3.3842	3.3842
S2	1.7987		1.7036	1.4660	1.4660	2.3538	2.3841	2.3841	2.2397	2.2397
N3	2.7151	1.7036		2.5645	2.5645	3.6604	2.8913	2.8913	1.0221	1.0221
O4	2.6470	1.4660	2.5645		2.5642	2.9038	2.8301	3.5563	2.5055	3.2520
O5	2.6470	1.4660	2.5645	2.5642		2.9038	3.5563	2.8301	3.2520	2.5055
H6	1.0958	2.3538	3.6604	2.9038	2.9038		1.8045	1.8045	4.2723	4.2723
H7	1.0945	2.3841	2.8913	2.8301	3.5563	1.8045		1.8086	3.3306	3.7583
H8	1.0945	2.3841	2.8913	3.5563	2.8301	1.8045	1.8086		3.7583	3.3306
H9	3.3842	2.2397	1.0221	2.5055	3.2520	4.2723	3.3306	3.7583		1.6762
H10	3.3842	2.2397	1.0221	3.2520	2.5055	4.2723	3.7583	3.3306	1.6762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	101.619	C1	S2	O4	107.911
C1	S2	O5	107.911	S2	C1	H6	106.274
S2	C1	H7	108.520	S2	C1	H8	108.520
S2	N3	H9	107.882	S2	N3	H10	107.882
N3	S2	O4	107.781	N3	S2	O5	107.781
O4	S2	O5	121.976	H6	C1	H7	110.952
H6	C1	H8	110.952	H7	C1	H8	111.428
H9	N3	H10	110.171

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: PBEPBEultrafine/cc-pVTZ

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	-0.278
2	S	0.742
3	N	-0.306
4	O	-0.411
5	O	-0.411
6	H	0.122
7	H	0.117
8	H	0.117
9	H	0.155
10	H	0.155

	x	y	z	Total
	-1.512	2.772	0.000	3.158
CHELPG
AIM
ESP

	x	y	z
x	7.239	0.381	0.000
y	0.381	6.857	0.000
z	0.000	0.000	6.829

<r²>	122.331
(<r²>)^1/2	11.060

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)