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	hartrees
Energy at 0K	-82.998969
Energy at 298.15K	-83.005859
HF Energy	-82.649625
Nuclear repulsion energy	40.541203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3497	3341	4.75
2	A₁	2477	2367	68.88
3	A₁	1378	1316	114.04
4	A₁	1229	1174	148.55
5	A₁	668	638	17.22
6	A₂	283	271	0.00
7	E	3609	3448	28.71
7	E	3609	3448	28.71
8	E	2537	2424	254.21
8	E	2537	2424	254.21
9	E	1677	1602	24.44
9	E	1677	1602	24.44
10	E	1226	1171	8.92
10	E	1226	1171	8.92
11	E	1095	1046	40.07
11	E	1095	1046	40.07
12	E	657	627	1.06
12	E	657	627	1.06

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.934
N2	0.000	0.000	0.728
H3	0.000	-1.171	-1.238
H4	-1.014	0.585	-1.238
H5	1.014	0.585	-1.238
H6	0.000	0.947	1.095
H7	-0.820	-0.473	1.095
H8	0.820	-0.473	1.095

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6618	1.2095	1.2095	1.2095	2.2391	2.2391	2.2391
N2	1.6618		2.2885	2.2885	2.2885	1.0156	1.0156	1.0156
H3	1.2095	2.2885		2.0275	2.0275	3.1511	2.5699	2.5699
H4	1.2095	2.2885	2.0275		2.0275	2.5699	2.5699	3.1511
H5	1.2095	2.2885	2.0275	2.0275		2.5699	3.1511	2.5699
H6	2.2391	1.0156	3.1511	2.5699	2.5699		1.6400	1.6400
H7	2.2391	1.0156	2.5699	2.5699	3.1511	1.6400		1.6400
H8	2.2391	1.0156	2.5699	3.1511	2.5699	1.6400	1.6400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.202	B1	N2	H7	111.202
B1	N2	H8	111.202	N2	B1	H3	104.586
N2	B1	H4	104.586	N2	B1	H5	104.586
H3	B1	H4	113.883	H3	B1	H5	113.883
H4	B1	H5	113.883	H6	N2	H7	107.686
H6	N2	H8	107.686	H7	N2	H8	107.686

All results from a given calculation for BH₃NH₃ (borane ammonia)

using model chemistry: QCISD/TZVP

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 BH3NH3 (borane ammonia)

using model chemistry: QCISD/TZVP

States and conformations

All results from a given calculation for BH₃NH₃ (borane ammonia)