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	hartrees
Energy at 0K	-476.353627
Energy at 298.15K	-476.357474
HF Energy	-475.609926
Nuclear repulsion energy	93.383249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3200	6.17
2	A'	3149	3149	12.65
3	A'	3078	3078	4.73
4	A'	1515	1515	6.41
5	A'	1428	1428	30.66
6	A'	1413	1413	35.52
7	A'	1208	1208	22.99
8	A'	1107	1107	2.60
9	A'	861	861	1.99
10	A'	402	402	1.59
11	A"	3137	3137	5.99
12	A"	1505	1505	8.49
13	A"	1069	1069	6.07
14	A"	779	779	14.94
15	A"	175	175	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.617	0.000
C2	-1.489	0.695	0.000
S3	0.876	-0.729	0.000
H4	0.509	1.578	0.000
H5	-1.938	-0.292	0.000
H6	-1.829	1.250	0.874
H7	-1.829	1.250	-0.874

	C1	C2	S3	H4	H5	H6	H7
C1		1.4911	1.6063	1.0868	2.1410	2.1238	2.1238
C2	1.4911		2.7606	2.1845	1.0842	1.0902	1.0902
S3	1.6063	2.7606		2.3355	2.8481	3.4641	3.4641
H4	1.0868	2.1845	2.3355		3.0798	2.5177	2.5177
H5	2.1410	1.0842	2.8481	3.0798		1.7762	1.7762
H6	2.1238	1.0902	3.4641	2.5177	1.7762		1.7486
H7	2.1238	1.0902	3.4641	2.5177	1.7762	1.7486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.499	C1	C2	H6	109.748
C1	C2	H7	109.748	C2	C1	S3	126.029
C2	C1	H4	114.959	S3	C1	H4	119.012
H5	C2	H6	109.544	H5	C2	H7	109.544
H6	C2	H7	106.634

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: MP3=FULL/6-311+G(3df,2p)

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 CH3CHS (Thioacetaldehyde)

using model chemistry: MP3=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)