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	hartrees
Energy at 0K	-476.088690
Energy at 298.15K	-476.092574
HF Energy	-475.617393
Nuclear repulsion energy	93.566120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	3240	8.19
2	A'	3195	3195	14.79
3	A'	3116	3116	5.68
4	A'	1542	1542	6.02
5	A'	1458	1458	39.75
6	A'	1441	1441	31.81
7	A'	1222	1222	32.83
8	A'	1128	1128	5.10
9	A'	872	872	0.63
10	A'	407	407	2.23
11	A"	3175	3175	8.52
12	A"	1534	1534	8.42
13	A"	1100	1100	5.23
14	A"	805	805	12.50
15	A"	179	179	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.615	0.000
C2	-1.488	0.694	0.000
S3	0.875	-0.727	0.000
H4	0.506	1.573	0.000
H5	-1.934	-0.291	0.000
H6	-1.825	1.248	0.872
H7	-1.825	1.248	-0.872

	C1	C2	S3	H4	H5	H6	H7
C1		1.4902	1.6025	1.0828	2.1360	2.1193	2.1193
C2	1.4902		2.7576	2.1790	1.0807	1.0870	1.0870
S3	1.6025	2.7576		2.3291	2.8435	3.4572	3.4572
H4	1.0828	2.1790	2.3291		3.0702	2.5099	2.5099
H5	2.1360	1.0807	2.8435	3.0702		1.7718	1.7718
H6	2.1193	1.0870	3.4572	2.5099	1.7718		1.7450
H7	2.1193	1.0870	3.4572	2.5099	1.7718	1.7450

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.374	C1	C2	H6	109.651
C1	C2	H7	109.651	C2	C1	S3	126.130
C2	C1	H4	114.833	S3	C1	H4	119.037
H5	C2	H6	109.641	H5	C2	H7	109.641
H6	C2	H7	106.773

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CISD/cc-pV(T+d)Z

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: CISD/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)