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	hartrees
Energy at 0K	-65.881249
Energy at 298.15K
HF Energy	-65.789084
Nuclear repulsion energy	31.835630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3095	3095	15.14
2	A'	2994	2994	4.49
3	A'	2588	2588	111.64
4	A'	1495	1495	3.13
5	A'	1344	1344	71.40
6	A'	1266	1266	23.16
7	A'	1100	1100	68.58
8	A'	978	978	12.17
9	A'	567	567	0.70
10	A"	3146	3146	18.54
11	A"	2657	2657	159.50
12	A"	1449	1449	4.51
13	A"	1077	1077	19.71
14	A"	693	693	1.18
15	A"	163	163	1.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.683	0.000
B2	-0.018	0.873	0.000
H3	1.053	-0.950	0.000
H4	-0.441	-1.142	0.895
H5	-0.441	-1.142	-0.895
H6	0.014	1.486	-1.024
H7	0.014	1.486	1.024

	C1	B2	H3	H4	H5	H6	H7
C1		1.5560	1.1041	1.0913	1.0913	2.3988	2.3988
B2	1.5560		2.1139	2.2450	2.2450	1.1936	1.1936
H3	1.1041	2.1139		1.7527	1.7527	2.8388	2.8388
H4	1.0913	2.2450	1.7527		1.7906	3.2857	2.6702
H5	1.0913	2.2450	1.7527	1.7906		2.6702	3.2857
H6	2.3988	1.1936	2.8388	3.2857	2.6702		2.0471
H7	2.3988	1.1936	2.8388	2.6702	3.2857	2.0471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.911	C1	B2	H7	120.911
B2	C1	H3	103.945	B2	C1	H4	114.867
B2	C1	H5	114.867	H3	C1	H4	105.939
H3	C1	H5	105.939	H4	C1	H5	110.257
H6	B2	H7	118.084

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: B2PLYP=FULLultrafine/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)