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	hartrees
Energy at 0K	-476.073311
Energy at 298.15K	-476.077769
HF Energy	-475.593028
Nuclear repulsion energy	100.354624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3155	3036
2	A₁	1522	1465
3	A₁	1150	1107
4	A₁	1082	1041
5	A₁	635	611
6	A₂	3240	3118
7	A₂	1208	1163
8	A₂	917	883
9	B₁	3254	3132
10	B₁	974	937
11	B₁	851	820
12	B₂	3151	3033
13	B₂	1494	1438
14	B₂	1110	1069
15	B₂	655	631

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.877
C2	0.000	0.742	-0.808
C3	0.000	-0.742	-0.808
H4	-0.916	1.250	-1.086
H5	0.916	1.250	-1.086
H6	0.916	-1.250	-1.086
H7	-0.916	-1.250	-1.086

	S1	C2	C3	H4	H5	H6	H7
S1		1.8415	1.8415	2.5012	2.5012	2.5012	2.5012
C2	1.8415		1.4849	1.0835	1.0835	2.2105	2.2105
C3	1.8415	1.4849		2.2105	2.2105	1.0835	1.0835
H4	2.5012	1.0835	2.2105		1.8318	3.0993	2.5001
H5	2.5012	1.0835	2.2105	1.8318		2.5001	3.0993
H6	2.5012	2.2105	1.0835	3.0993	2.5001		1.8318
H7	2.5012	2.2105	1.0835	2.5001	3.0993	1.8318

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.223	S1	C2	H4	115.072
S1	C2	H5	115.072	S1	C3	C2	66.223
S1	C3	H6	115.072	S1	C3	H7	115.072
C2	S1	C3	47.554	C2	C3	H6	117.937
C2	C3	H7	117.937	C3	C2	H4	117.937
C3	C2	H5	117.937	H4	C2	H5	115.421
H6	C3	H7	115.421

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CCSD(T)/TZVP

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 C2H4S (Thiirane)

using model chemistry: CCSD(T)/TZVP

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)