tmbodipy scsd model output - Dr. C. J. Kingsbury

SCSD model generated from precomputed using C_2v symmetry, available as tmbodipy

x	y	z	at
0.0	0.0	-1.3471	B
-0.0	2.5613	1.4257	C
-0.0	3.3453	0.3011	C
0.0	2.5272	-0.8254	C
0.0	-2.5272	-0.8254	C
-0.0	-3.3453	0.3011	C
-0.0	-2.5613	1.4257	C
-0.0	-0.0	1.6366	C
-0.0	1.215	0.9613	C
-0.0	-1.215	0.9613	C
-0.0	3.0614	2.8336	C
0.0	2.9387	-2.2587	C
0.0	-2.9387	-2.2587	C
-0.0	-3.0614	2.8336	C
-1.1306	0.0	-2.1482	F
1.1306	0.0	-2.1482	F
0.0	1.2392	-0.4341	N
0.0	-1.2392	-0.4341	N

#tmbodipy 20240426
model_objs_dict['tmbodipy'] = scsd_model('tmbodipy', array([['0.0', '0.0', '-1.3471', 'B'], ['-0.0', '2.5613', '1.4257', 'C'], ['-0.0', '3.3453', '0.3011', 'C'], ['0.0', '2.5272', '-0.8254', 'C'], ['0.0', '-2.5272', '-0.8254', 'C'], ['-0.0', '-3.3453', '0.3011', 'C'], ['-0.0', '-2.5613', '1.4257', 'C'], ['-0.0', '-0.0', '1.6366', 'C'], ['-0.0', '1.215', '0.9613', 'C'], ['-0.0', '-1.215', '0.9613', 'C'], ['-0.0', '3.0614', '2.8336', 'C'], ['0.0', '2.9387', '-2.2587', 'C'], ['0.0', '-2.9387', '-2.2587', 'C'], ['-0.0', '-3.0614', '2.8336', 'C'], ['-1.1306', '0.0', '-2.1482', 'F'], ['1.1306', '0.0', '-2.1482', 'F'], ['0.0', '1.2392', '-0.4341', 'N'], ['0.0', '-1.2392', '-0.4341', 'N']]), 'C2v' , maxdist = 1.75)