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	hartrees
Energy at 0K	-2438.297038
Energy at 298.15K	-2438.299120
HF Energy	-2437.946099
Nuclear repulsion energy	101.022798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3050	2.83
2	A'	3124	2959	11.65
3	A'	2553	2418	15.06
4	A'	1522	1442	6.09
5	A'	1357	1286	6.47
6	A'	1032	977	15.68
7	A'	743	704	0.24
8	A'	647	613	0.01
9	A"	3229	3059	2.50
10	A"	1511	1432	3.69
11	A"	937	887	6.10
12	A"	225	213	4.58

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.031	-0.417	0.000
C2	-0.031	1.517	0.000
H3	1.422	-0.557	0.000
H4	-1.076	1.826	0.000
H5	0.451	1.908	0.893
H6	0.451	1.908	-0.893

	Se1	C2	H3	H4	H5	H6
Se1		1.9343	1.4600	2.4746	2.5368	2.5368
C2	1.9343		2.5322	1.0891	1.0875	1.0875
H3	1.4600	2.5322		3.4520	2.7952	2.7952
H4	2.4746	1.0891	3.4520		1.7705	1.7705
H5	2.5368	1.0875	2.7952	1.7705		1.7860
H6	2.5368	1.0875	2.7952	1.7705	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.492	Se1	C2	H5	111.055
Se1	C2	H6	111.055	C2	Se1	H3	95.477
H4	C2	H5	108.859	H4	C2	H6	108.859
H5	C2	H6	110.397

All results from a given calculation for CH₃SeH (Methane selenol)

using model chemistry: CCD/6-31G(2df,p)

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 CH3SeH (Methane selenol)

using model chemistry: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃SeH (Methane selenol)