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	hartrees
Energy at 0K	-515.185471
Energy at 298.15K	-515.192158
HF Energy	-514.612252
Nuclear repulsion energy	159.401645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3272	3109	3.14
2	A	3205	3046	16.74
3	A	3190	3031	6.15
4	A	3180	3022	8.98
5	A	3167	3010	8.57
6	A	3083	2930	23.39
7	A	1496	1421	4.25
8	A	1492	1418	5.47
9	A	1478	1404	5.53
10	A	1421	1350	3.57
11	A	1379	1311	5.46
12	A	1211	1151	2.87
13	A	1190	1131	1.27
14	A	1103	1049	12.88
15	A	1064	1011	9.30
16	A	1023	972	3.23
17	A	941	895	3.91
18	A	929	883	1.94
19	A	901	856	2.12
20	A	669	636	9.12
21	A	647	615	8.09
22	A	386	366	0.20
23	A	307	292	1.45
24	A	246	234	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-1.774	-0.303	-0.180
C2	-0.515	0.165	0.512
C3	0.373	1.154	-0.156
S4	1.087	-0.529	-0.055
H5	-1.610	-0.369	-1.266
H6	-2.078	-1.297	0.182
H7	-2.600	0.403	0.015
H8	-0.579	0.245	1.604
H9	0.096	1.480	-1.165
H10	0.874	1.910	0.457

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.5107	2.5952	2.8732	1.1008	1.1009	1.1037	2.2158	2.7656	3.5093
C2	1.5107		1.4878	1.8364	2.1550	2.1658	2.1563	1.0969	2.2165	2.2309
C3	2.5952	1.4878		1.8318	2.7357	3.4835	3.0712	2.1978	1.0954	1.0945
S4	2.8732	1.8364	1.8318		2.9610	3.2662	3.8040	2.4754	2.4999	2.5020
H5	1.1008	2.1550	2.7357	2.9610		1.7831	1.7934	3.1107	2.5176	3.7857
H6	1.1009	2.1658	3.4835	3.2662	1.7831		1.7864	2.5784	3.7758	4.3678
H7	1.1037	2.1563	3.0712	3.8040	1.7934	1.7864		2.5760	3.1340	3.8122
H8	2.2158	1.0969	2.1978	2.4754	3.1107	2.5784	2.5760		3.1059	2.4894
H9	2.7656	2.2165	1.0954	2.4999	2.5176	3.7758	3.1340	3.1059		1.8495
H10	3.5093	2.2309	1.0945	2.5020	3.7857	4.3678	3.8122	2.4894	1.8495

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.886	C1	C2	S4	117.958
C1	C2	H8	115.463	C2	C1	H5	110.227
C2	C1	H6	111.086	C2	C1	H7	110.160
C2	C3	S4	66.231	C2	C3	H9	117.392
C2	C3	H10	118.731	C2	S4	C3	47.855
C3	C2	S4	65.914	C3	C2	H8	115.667
S4	C2	H8	112.661	S4	C3	H9	114.964
S4	C3	H10	115.181	H5	C1	H6	108.165
H5	C1	H7	108.882	H6	C1	H7	108.252
H9	C3	H10	115.244

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C3H6S (Thiirane, methyl-)

using model chemistry: MP2=FULL/cc-pVDZ

States and conformations

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