porphyrinryleneimide scsd model output

SCSD model generated from precomputed using D_4h symmetry, available as porphyrinryleneimide

x	y	z	at
1.247	9.4634	0.0	C
-1.247	9.4634	0.0	C
-2.3847	-2.3847	-0.0	C
2.3847	2.3847	0.0	C
-2.3847	2.3847	0.0	C
2.3847	-2.3847	-0.0	C
-7.3474	-2.3858	-0.0	C
7.3474	2.3858	0.0	C
2.3858	-7.3474	-0.0	C
-2.3858	7.3474	0.0	C
-5.9651	-2.3974	-0.0	C
5.9651	2.3974	0.0	C
2.3974	-5.9651	-0.0	C
-2.3974	5.9651	0.0	C
-5.3819	-1.1812	-0.0	C
5.3819	1.1812	0.0	C
1.1812	-5.3819	-0.0	C
-1.1812	5.3819	0.0	C
-6.1455	0.0	0.0	C
6.1455	-0.0	-0.0	C
-0.0	-6.1455	-0.0	C
0.0	6.1455	0.0	C
-7.4459	0.0	0.0	C
7.4459	-0.0	-0.0	C
-0.0	-7.4459	-0.0	C
0.0	7.4459	0.0	C
-9.4634	1.247	0.0	C
9.4634	-1.247	-0.0	C
-1.247	-9.4634	-0.0	C
-9.4634	-1.247	-0.0	C
9.4634	1.247	0.0	C
1.247	-9.4634	-0.0	C
-2.7887	1.1209	0.0	C
2.7887	-1.1209	-0.0	C
-1.1209	-2.7887	-0.0	C
1.1209	2.7887	0.0	C
-4.0668	0.6897	0.0	C
4.0668	-0.6897	-0.0	C
-0.6897	-4.0668	-0.0	C
0.6897	4.0668	0.0	C
-4.0668	-0.6897	-0.0	C
4.0668	0.6897	0.0	C
0.6897	-4.0668	-0.0	C
-0.6897	4.0668	0.0	C
-2.7887	-1.1209	-0.0	C
2.7887	1.1209	0.0	C
1.1209	-2.7887	-0.0	C
-1.1209	2.7887	0.0	C
-5.3819	1.1812	0.0	C
5.3819	-1.1812	-0.0	C
-1.1812	-5.3819	-0.0	C
1.1812	5.3819	0.0	C
-5.9651	2.3974	0.0	C
5.9651	-2.3974	-0.0	C
-2.3974	-5.9651	-0.0	C
2.3974	5.9651	0.0	C
-7.3474	2.3858	0.0	C
7.3474	-2.3858	-0.0	C
-2.3858	-7.3474	-0.0	C
2.3858	7.3474	0.0	C
-8.0637	1.2363	0.0	C
8.0637	-1.2363	-0.0	C
-1.2363	-8.0637	-0.0	C
1.2363	8.0637	0.0	C
-8.0637	-1.2363	-0.0	C
8.0637	1.2363	0.0	C
1.2363	-8.0637	-0.0	C
-1.2363	8.0637	0.0	C
0.0	10.0635	0.0	N
-2.0296	0.0	0.0	N
2.0296	-0.0	0.0	N
-0.0	-2.0296	-0.0	N
0.0	2.0296	0.0	N
-10.0635	0.0	0.0	N
10.0635	-0.0	-0.0	N
-0.0	-10.0635	-0.0	N
2.2615	10.0774	0.0	O
-2.2615	10.0774	0.0	O
-10.0774	2.2615	0.0	O
10.0774	-2.2615	-0.0	O
-2.2615	-10.0774	-0.0	O
-10.0774	-2.2615	-0.0	O
10.0774	2.2615	0.0	O
2.2615	-10.0774	-0.0	O

#porphyrinryleneimide 20260119
model_objs_dict['porphyrinryleneimide'] = scsd_model('porphyrinryleneimide', array([['1.247', '9.4634', '0.0', 'C'], ['-1.247', '9.4634', '0.0', 'C'], ['-2.3847', '-2.3847', '-0.0', 'C'], ['2.3847', '2.3847', '0.0', 'C'], ['-2.3847', '2.3847', '0.0', 'C'], ['2.3847', '-2.3847', '-0.0', 'C'], ['-7.3474', '-2.3858', '-0.0', 'C'], ['7.3474', '2.3858', '0.0', 'C'], ['2.3858', '-7.3474', '-0.0', 'C'], ['-2.3858', '7.3474', '0.0', 'C'], ['-5.9651', '-2.3974', '-0.0', 'C'], ['5.9651', '2.3974', '0.0', 'C'], ['2.3974', '-5.9651', '-0.0', 'C'], ['-2.3974', '5.9651', '0.0', 'C'], ['-5.3819', '-1.1812', '-0.0', 'C'], ['5.3819', '1.1812', '0.0', 'C'], ['1.1812', '-5.3819', '-0.0', 'C'], ['-1.1812', '5.3819', '0.0', 'C'], ['-6.1455', '0.0', '0.0', 'C'], ['6.1455', '-0.0', '-0.0', 'C'], ['-0.0', '-6.1455', '-0.0', 'C'], ['0.0', '6.1455', '0.0', 'C'], ['-7.4459', '0.0', '0.0', 'C'], ['7.4459', '-0.0', '-0.0', 'C'], ['-0.0', '-7.4459', '-0.0', 'C'], ['0.0', '7.4459', '0.0', 'C'], ['-9.4634', '1.247', '0.0', 'C'], ['9.4634', '-1.247', '-0.0', 'C'], ['-1.247', '-9.4634', '-0.0', 'C'], ['-9.4634', '-1.247', '-0.0', 'C'], ['9.4634', '1.247', '0.0', 'C'], ['1.247', '-9.4634', '-0.0', 'C'], ['-2.7887', '1.1209', '0.0', 'C'], ['2.7887', '-1.1209', '-0.0', 'C'], ['-1.1209', '-2.7887', '-0.0', 'C'], ['1.1209', '2.7887', '0.0', 'C'], ['-4.0668', '0.6897', '0.0', 'C'], ['4.0668', '-0.6897', '-0.0', 'C'], ['-0.6897', '-4.0668', '-0.0', 'C'], ['0.6897', '4.0668', '0.0', 'C'], ['-4.0668', '-0.6897', '-0.0', 'C'], ['4.0668', '0.6897', '0.0', 'C'], ['0.6897', '-4.0668', '-0.0', 'C'], ['-0.6897', '4.0668', '0.0', 'C'], ['-2.7887', '-1.1209', '-0.0', 'C'], ['2.7887', '1.1209', '0.0', 'C'], ['1.1209', '-2.7887', '-0.0', 'C'], ['-1.1209', '2.7887', '0.0', 'C'], ['-5.3819', '1.1812', '0.0', 'C'], ['5.3819', '-1.1812', '-0.0', 'C'], ['-1.1812', '-5.3819', '-0.0', 'C'], ['1.1812', '5.3819', '0.0', 'C'], ['-5.9651', '2.3974', '0.0', 'C'], ['5.9651', '-2.3974', '-0.0', 'C'], ['-2.3974', '-5.9651', '-0.0', 'C'], ['2.3974', '5.9651', '0.0', 'C'], ['-7.3474', '2.3858', '0.0', 'C'], ['7.3474', '-2.3858', '-0.0', 'C'], ['-2.3858', '-7.3474', '-0.0', 'C'], ['2.3858', '7.3474', '0.0', 'C'], ['-8.0637', '1.2363', '0.0', 'C'], ['8.0637', '-1.2363', '-0.0', 'C'], ['-1.2363', '-8.0637', '-0.0', 'C'], ['1.2363', '8.0637', '0.0', 'C'], ['-8.0637', '-1.2363', '-0.0', 'C'], ['8.0637', '1.2363', '0.0', 'C'], ['1.2363', '-8.0637', '-0.0', 'C'], ['-1.2363', '8.0637', '0.0', 'C'], ['0.0', '10.0635', '0.0', 'N'], ['-2.0296', '0.0', '0.0', 'N'], ['2.0296', '-0.0', '0.0', 'N'], ['-0.0', '-2.0296', '-0.0', 'N'], ['0.0', '2.0296', '0.0', 'N'], ['-10.0635', '0.0', '0.0', 'N'], ['10.0635', '-0.0', '-0.0', 'N'], ['-0.0', '-10.0635', '-0.0', 'N'], ['2.2615', '10.0774', '0.0', 'O'], ['-2.2615', '10.0774', '0.0', 'O'], ['-10.0774', '2.2615', '0.0', 'O'], ['10.0774', '-2.2615', '-0.0', 'O'], ['-2.2615', '-10.0774', '-0.0', 'O'], ['-10.0774', '-2.2615', '-0.0', 'O'], ['10.0774', '2.2615', '0.0', 'O'], ['2.2615', '-10.0774', '-0.0', 'O']]), 'D4h' , maxdist = 1.75)