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	hartrees
Energy at 0K	-515.220208
Energy at 298.15K	-515.226965
HF Energy	-514.596987
Nuclear repulsion energy	160.352423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3323	3096	3.80
2	A	3254	3032	13.91
3	A	3229	3009	13.22
4	A	3224	3003	10.36
5	A	3206	2987	16.18
6	A	3125	2911	27.16
7	A	1558	1451	3.93
8	A	1551	1445	8.12
9	A	1535	1430	3.72
10	A	1480	1379	4.77
11	A	1434	1335	6.59
12	A	1243	1158	4.55
13	A	1227	1143	3.57
14	A	1159	1080	21.86
15	A	1129	1052	8.28
16	A	1065	992	3.18
17	A	975	908	1.86
18	A	965	899	2.11
19	A	923	860	2.14
20	A	680	634	9.58
21	A	660	615	14.48
22	A	396	369	0.18
23	A	312	290	0.97
24	A	244	228	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-1.778	-0.294	-0.179
C2	-0.509	0.149	0.503
C3	0.381	1.141	-0.147
S4	1.086	-0.525	-0.057
H5	-1.637	-0.374	-1.254
H6	-2.114	-1.261	0.190
H7	-2.568	0.433	0.010
H8	-0.591	0.222	1.579
H9	0.106	1.498	-1.130
H10	0.860	1.901	0.455

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.5064	2.5923	2.8756	1.0878	1.0883	1.0905	2.1826	2.7681	3.4895
C2	1.5064		1.4832	1.8205	2.1531	2.1590	2.1358	1.0811	2.2059	2.2245
C3	2.5923	1.4832		1.8106	2.7565	3.4798	3.0372	2.1833	1.0817	1.0812
S4	2.8756	1.8205	1.8106		2.9789	3.2933	3.7784	2.4591	2.4906	2.4894
H5	1.0878	2.1531	2.7565	2.9789		1.7604	1.7657	3.0788	2.5613	3.7864
H6	1.0883	2.1590	3.4798	3.2933	1.7604		1.7630	2.5396	3.7791	4.3492
H7	1.0905	2.1358	3.0372	3.7784	1.7657	1.7630		2.5328	3.0957	3.7557
H8	2.1826	1.0811	2.1833	2.4591	3.0788	2.5396	2.5328		3.0742	2.4876
H9	2.7681	2.2059	1.0817	2.4906	2.5613	3.7791	3.0957	3.0742		1.8006
H10	3.4895	2.2245	1.0812	2.4894	3.7864	4.3492	3.7557	2.4876	1.8006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.244	C1	C2	S4	119.317
C1	C2	H8	114.019	C2	C1	H5	111.167
C2	C1	H6	111.609	C2	C1	H7	109.622
C2	C3	S4	66.241	C2	C3	H9	117.787
C2	C3	H10	119.501	C2	S4	C3	48.216
C3	C2	S4	65.543	C3	C2	H8	115.847
S4	C2	H8	113.412	S4	C3	H9	116.612
S4	C3	H10	116.543	H5	C1	H6	107.996
H5	C1	H7	108.309	H6	C1	H7	108.023
H9	C3	H10	112.710

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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