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	hartrees
Energy at 0K	-65.856593
Energy at 298.15K
HF Energy	-65.774598
Nuclear repulsion energy	31.694968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3100	2983	14.56
2	A'	2992	2879	4.39
3	A'	2584	2486	112.79
4	A'	1463	1408	2.06
5	A'	1319	1270	71.31
6	A'	1247	1200	17.67
7	A'	1086	1045	59.49
8	A'	975	939	11.15
9	A'	549	528	0.67
10	A"	3154	3035	17.76
11	A"	2655	2554	157.95
12	A"	1414	1361	3.73
13	A"	1062	1022	18.27
14	A"	679	653	1.55
15	A"	161	155	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-0.685	0.000
B2	-0.019	0.874	0.000
H3	1.060	-0.949	0.000
H4	-0.440	-1.149	0.901
H5	-0.440	-1.149	-0.901
H6	0.014	1.491	-1.032
H7	0.014	1.491	1.032

	C1	B2	H3	H4	H5	H6	H7
C1		1.5590	1.1108	1.0975	1.0975	2.4087	2.4087
B2	1.5590		2.1190	2.2547	2.2547	1.2032	1.2032
H3	1.1108	2.1190		1.7611	1.7611	2.8491	2.8491
H4	1.0975	2.2547	1.7611		1.8013	3.3038	2.6825
H5	1.0975	2.2547	1.7611	1.8013		2.6825	3.3038
H6	2.4087	1.2032	2.8491	3.3038	2.6825		2.0648
H7	2.4087	1.2032	2.8491	2.6825	3.3038	2.0648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.850	C1	B2	H7	120.850
B2	C1	H3	103.793	B2	C1	H4	115.040
B2	C1	H5	115.040	H3	C1	H4	105.785
H3	C1	H5	105.785	H4	C1	H5	110.289
H6	B2	H7	118.203

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B2PLYP=FULLultrafine/aug-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 CH3BH2 (methylborane)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)