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	hartrees
Energy at 0K	-636.157876
Energy at 298.15K	-636.163908
HF Energy	-636.157876
Nuclear repulsion energy	252.218723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3571	3150	1.68
2	A'	3441	3035	28.41
3	A'	3357	2961	22.78
4	A'	1827	1611	3.61
5	A'	1633	1440	5.16
6	A'	1423	1255	1.34
7	A'	1109	978	51.09
8	A'	980	865	17.05
9	A'	874	771	30.70
10	A'	651	574	64.61
11	A'	600	529	57.08
12	A'	301	265	15.12
13	A'	273	241	13.34
14	A'	218	193	5.94
15	A"	3639	3210	10.92
16	A"	3574	3153	2.53
17	A"	1634	1441	4.64
18	A"	1159	1022	8.17
19	A"	1034	912	31.93
20	A"	923	814	0.39
21	A"	280	247	11.42
22	A"	199	175	6.27
23	A"	125	110	37.90
24	A"	32	28	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.554	1.714	0.000
S2	-0.152	-0.168	0.000
N3	1.773	0.109	0.000
O4	-0.554	-0.838	1.413
O5	-0.554	-0.838	-1.413
H6	-1.643	1.834	0.000
H7	-0.107	2.143	0.903
H8	-0.107	2.143	-0.903
H9	2.030	-0.535	0.816
H10	2.030	-0.535	-0.816

	C1	S2	N3	O4	O5	H6	H7	H8	H9	H10
C1		1.9245	2.8265	2.9166	2.9166	1.0960	1.0956	1.0956	3.5215	3.5215
S2	1.9245		1.9442	1.6148	1.6148	2.4971	2.4822	2.4822	2.3583	2.3583
N3	2.8265	1.9442		2.8823	2.8823	3.8271	2.9131	2.9131	1.0709	1.0709
O4	2.9166	1.6148	2.8823		2.8266	3.2129	3.0573	3.8016	2.6698	3.4266
O5	2.9166	1.6148	2.8823	2.8266		3.2129	3.8016	3.0573	3.4266	2.6698
H6	1.0960	2.4971	3.8271	3.2129	3.2129		1.8091	1.8091	4.4469	4.4469
H7	1.0956	2.4822	2.9131	3.0573	3.8016	1.8091		1.8060	3.4273	3.8333
H8	1.0956	2.4822	2.9131	3.8016	3.0573	1.8091	1.8060		3.8333	3.4273
H9	3.5215	2.3583	1.0709	2.6698	3.4266	4.4469	3.4273	3.8333		1.6324
H10	3.5215	2.3583	1.0709	3.4266	2.6698	4.4469	3.8333	3.4273	1.6324

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	N3	93.873	C1	S2	O4	110.686
C1	S2	O5	110.686	S2	C1	H6	108.383
S2	C1	H7	107.347	S2	C1	H8	107.347
S2	N3	H9	98.767	S2	N3	H10	98.767
N3	S2	O4	107.806	N3	S2	O5	107.806
O4	S2	O5	122.147	H6	C1	H7	111.274
H6	C1	H8	111.274	H7	C1	H8	111.019
H9	N3	H10	99.314

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)

using model chemistry: PBE1PBE/STO-3G

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	-0.305
2	S	0.801
3	N	-0.400
4	O	-0.348
5	O	-0.348
6	H	0.100
7	H	0.107
8	H	0.107
9	H	0.143
10	H	0.143

	x	y	z	Total
	0.605	1.120	0.000	1.273
CHELPG
AIM
ESP

	x	y	z
x	4.961	-0.349	0.000
y	-0.349	4.359	0.000
z	0.000	0.000	4.439

<r²>	139.102
(<r²>)^1/2	11.794

All results from a given calculation for CH3SO2NH2 (methanesulfonamide)

using model chemistry: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for CH₃SO₂NH₂ (methanesulfonamide)