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	hartrees
Energy at 0K	-514.451362
Energy at 298.15K	-514.457951
Nuclear repulsion energy	160.843082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3132	3093	1.62
2	A	3070	3032	10.38
3	A	3054	3017	5.59
4	A	3040	3002	11.77
5	A	3037	2999	3.28
6	A	2961	2924	17.22
7	A	1424	1407	4.20
8	A	1419	1402	13.39
9	A	1399	1381	11.61
10	A	1359	1342	10.89
11	A	1320	1303	6.64
12	A	1180	1165	3.56
13	A	1147	1133	2.21
14	A	1054	1041	25.87
15	A	1019	1006	10.80
16	A	981	969	8.40
17	A	910	899	7.72
18	A	898	887	4.42
19	A	872	861	3.01
20	A	666	658	10.38
21	A	630	623	10.93
22	A	380	375	0.35
23	A	297	294	1.74
24	A	241	238	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-1.752	-0.302	-0.176
C2	-0.513	0.158	0.507
C3	0.361	1.140	-0.153
S4	1.081	-0.520	-0.056
H5	-1.588	-0.363	-1.264
H6	-2.063	-1.298	0.174
H7	-2.582	0.400	0.014
H8	-0.572	0.232	1.600
H9	0.075	1.464	-1.160
H10	0.854	1.903	0.457

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.4881	2.5588	2.8435	1.1017	1.1002	1.1039	2.1980	2.7246	3.4721
C2	1.4881		1.4714	1.8210	2.1369	2.1528	2.1405	1.0964	2.1975	2.2173
C3	2.5588	1.4714		1.8119	2.7010	3.4539	3.0392	2.1835	1.0955	1.0937
S4	2.8435	1.8210	1.8119		2.9342	3.2469	3.7768	2.4574	2.4829	2.4871
H5	1.1017	2.1369	2.7010	2.9342		1.7798	1.7895	3.0964	2.4725	3.7497
H6	1.1002	2.1528	3.4539	3.2469	1.7798		1.7826	2.5685	3.7385	4.3401
H7	1.1039	2.1405	3.0392	3.7768	1.7895	1.7826		2.5650	3.0929	3.7759
H8	2.1980	1.0964	2.1835	2.4574	3.0964	2.5685	2.5650		3.0901	2.4765
H9	2.7246	2.1975	1.0955	2.4829	2.4725	3.7385	3.0929	3.0901		1.8471
H10	3.4721	2.2173	1.0937	2.4871	3.7497	4.3401	3.7759	2.4765	1.8471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.675	C1	C2	S4	118.122
C1	C2	H8	115.686	C2	C1	H5	110.309
C2	C1	H6	111.677	C2	C1	H7	110.463
C2	C3	S4	66.435	C2	C3	H9	117.010
C2	C3	H10	118.893	C2	S4	C3	47.783
C3	C2	S4	65.782	C3	C2	H8	115.728
S4	C2	H8	112.381	S4	C3	H9	115.068
S4	C3	H10	115.505	H5	C1	H6	107.866
H5	C1	H7	108.461	H6	C1	H7	107.955
H9	C3	H10	115.072

All results from a given calculation for C₃H₆S (Thiirane, methyl-)

using model chemistry: LSDA/6-311G**

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	-0.360
2	C	-0.379
3	C	-0.386
4	S	0.038
5	H	0.160
6	H	0.169
7	H	0.158
8	H	0.206
9	H	0.195
10	H	0.200

	x	y	z	Total
	-1.700	1.333	0.276	2.178
CHELPG
AIM
ESP

	x	y	z
x	8.867	-0.681	-0.272
y	-0.681	7.521	-0.047
z	-0.272	-0.047	5.992

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H6S (Thiirane, methyl-)

using model chemistry: LSDA/6-311G**

States and conformations

All results from a given calculation for C₃H₆S (Thiirane, methyl-)