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	hartrees
Energy at 0K	-65.728507
Energy at 298.15K	-65.732441
HF Energy	-65.447768
Nuclear repulsion energy	31.537780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3118	3118	15.00
2	A'	3011	3011	3.85
3	A'	2591	2591	111.61
4	A'	1473	1473	1.81
5	A'	1328	1328	64.73
6	A'	1254	1254	23.97
7	A'	1089	1089	61.25
8	A'	971	971	10.85
9	A'	558	558	0.85
10	A"	3171	3171	18.10
11	A"	2662	2662	158.78
12	A"	1428	1428	3.13
13	A"	1065	1065	18.94
14	A"	676	676	1.96
15	A"	158	158	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.690	0.000
B2	-0.018	0.881	0.000
H3	1.061	-0.961	0.000
H4	-0.447	-1.151	0.902
H5	-0.447	-1.151	-0.902
H6	0.014	1.500	-1.036
H7	0.014	1.500	1.036

	C1	B2	H3	H4	H5	H6	H7
C1		1.5714	1.1126	1.1001	1.1001	2.4230	2.4230
B2	1.5714		2.1353	2.2645	2.2645	1.2070	1.2070
H3	1.1126	2.1353		1.7675	1.7675	2.8683	2.8683
H4	1.1001	2.2645	1.7675		1.8042	3.3161	2.6942
H5	1.1001	2.2645	1.7675	1.8042		2.6942	3.3161
H6	2.4230	1.2070	2.8683	3.3161	2.6942		2.0717
H7	2.4230	1.2070	2.8683	2.6942	3.3161	2.0717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.842	C1	B2	H7	120.842
B2	C1	H3	104.106	B2	C1	H4	114.766
B2	C1	H5	114.766	H3	C1	H4	106.029
H3	C1	H5	106.029	H4	C1	H5	110.174
H6	B2	H7	118.224

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: MP3=FULL/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: MP3=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)