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	hartrees
Energy at 0K	-476.046697
Energy at 298.15K	-476.051128
HF Energy	-475.576989
Nuclear repulsion energy	99.927943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3149	3149	14.52
2	A₁	1499	1499	2.75
3	A₁	1148	1148	3.15
4	A₁	1041	1041	0.15
5	A₁	634	634	24.98
6	A₂	3235	3235	0.00
7	A₂	1194	1194	0.00
8	A₂	889	889	0.00
9	B₁	3250	3250	4.19
10	B₁	952	952	2.38
11	B₁	828	828	0.32
12	B₂	3143	3143	11.00
13	B₂	1464	1464	0.20
14	B₂	1065	1065	21.70
15	B₂	657	657	0.54

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.879
C2	0.000	0.747	-0.811
C3	0.000	-0.747	-0.811
H4	-0.925	1.261	-1.082
H5	0.925	1.261	-1.082
H6	0.925	-1.261	-1.082
H7	-0.925	-1.261	-1.082

	S1	C2	C3	H4	H5	H6	H7
S1		1.8468	1.8468	2.5081	2.5081	2.5081	2.5081
C2	1.8468		1.4930	1.0931	1.0931	2.2272	2.2272
C3	1.8468	1.4930		2.2272	2.2272	1.0931	1.0931
H4	2.5081	1.0931	2.2272		1.8509	3.1285	2.5222
H5	2.5081	1.0931	2.2272	1.8509		2.5222	3.1285
H6	2.5081	2.2272	1.0931	3.1285	2.5222		1.8509
H7	2.5081	2.2272	1.0931	2.5222	3.1285	1.8509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.158	S1	C2	H4	114.662
S1	C2	H5	114.662	S1	C3	C2	66.158
S1	C3	H6	114.662	S1	C3	H7	114.662
C2	S1	C3	47.683	C2	C3	H6	118.083
C2	C3	H7	118.083	C3	C2	H4	118.083
C3	C2	H5	118.083	H4	C2	H5	115.697
H6	C3	H7	115.697

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: QCISD/daug-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 C2H4S (Thiirane)

using model chemistry: QCISD/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)