subphthalocyanine scsd model output

SCSD model generated from precomputed using D_3h symmetry, available as subphthalocyanine
x	y	z	at
-1.978	1.1419	0.0	C
-3.2574	0.7147	0.0	C
-4.333	1.4246	0.0	C
-4.333	-1.4246	0.0	C
-3.2574	-0.7147	0.0	C
-1.978	-1.1418	0.0	C
0.0001	-2.2839	-0.0	C
1.0098	-3.1783	-0.0	C
0.9327	-4.4648	-0.0	C
2.0869	-5.0212	-0.0	C
3.305	-4.3179	-0.0	C
3.4003	-3.0402	-0.0	C
2.2476	-2.4636	-0.0	C
1.9779	-1.142	-0.0	C
1.9779	1.1421	-0.0	C
2.2477	2.4637	-0.0	C
3.4003	3.0402	-0.0	C
3.305	4.3178	-0.0	C
2.0869	5.0211	0.0	C
0.9328	4.4648	0.0	C
1.0098	3.1784	0.0	C
0.0001	2.2839	0.0	C
-5.3918	0.7032	0.0	C
-5.3918	-0.7033	0.0	C
-1.3344	2.3112	0.0	N
-1.3615	0.0	0.0	N
-1.3344	-2.3112	0.0	N
0.6807	-1.1791	-0.0	N
2.6687	0.0	-0.0	N
0.6807	1.1791	-0.0	N
#subphthalocyanine 20240419
model_objs_dict['subphthalocyanine'] = scsd_model('subphthalocyanine', array([['-1.978', '1.1419', '0.0', 'C'], ['-3.2574', '0.7147', '0.0', 'C'], ['-4.333', '1.4246', '0.0', 'C'], ['-4.333', '-1.4246', '0.0', 'C'], ['-3.2574', '-0.7147', '0.0', 'C'], ['-1.978', '-1.1418', '0.0', 'C'], ['0.0001', '-2.2839', '-0.0', 'C'], ['1.0098', '-3.1783', '-0.0', 'C'], ['0.9327', '-4.4648', '-0.0', 'C'], ['2.0869', '-5.0212', '-0.0', 'C'], ['3.305', '-4.3179', '-0.0', 'C'], ['3.4003', '-3.0402', '-0.0', 'C'], ['2.2476', '-2.4636', '-0.0', 'C'], ['1.9779', '-1.142', '-0.0', 'C'], ['1.9779', '1.1421', '-0.0', 'C'], ['2.2477', '2.4637', '-0.0', 'C'], ['3.4003', '3.0402', '-0.0', 'C'], ['3.305', '4.3178', '-0.0', 'C'], ['2.0869', '5.0211', '0.0', 'C'], ['0.9328', '4.4648', '0.0', 'C'], ['1.0098', '3.1784', '0.0', 'C'], ['0.0001', '2.2839', '0.0', 'C'], ['-5.3918', '0.7032', '0.0', 'C'], ['-5.3918', '-0.7033', '0.0', 'C'], ['-1.3344', '2.3112', '0.0', 'N'], ['-1.3615', '0.0', '0.0', 'N'], ['-1.3344', '-2.3112', '0.0', 'N'], ['0.6807', '-1.1791', '-0.0', 'N'], ['2.6687', '0.0', '-0.0', 'N'], ['0.6807', '1.1791', '-0.0', 'N']]), 'D3h' , pca = {"A'1":array([[-0.00317, 0.00245, -0.0, -0.02195, 0.00185, 0.0, -0.05496, 0.00089, 0.0, -0.05496, -0.00089, 0.0, -0.02195, -0.00185, 0.0, -0.00317, -0.00245, 0.0, -0.00054, -0.00397, -0.0, 0.00938, -0.01994, -0.0, 0.02671, -0.04804, -0.0, 0.04528, -0.07862, -0.0, 0.04544, -0.07852, -0.0, 0.02825, -0.04716, -0.0, 0.01258, -0.01809, -0.0, 0.0037, -0.00152, -0.0, 0.0037, 0.00152, -0.0, 0.01258, 0.01809, -0.0, 0.02825, 0.04716, -0.0, 0.04544, 0.07852, -0.0, 0.04528, 0.07862, -0.0, 0.02671, 0.04804, -0.0, 0.00938, 0.01994, -0.0, -0.00054, 0.00397, 0.0, -0.09072, 9e-05, 0.0, -0.09072, -9e-05, 0.0, -0.00384, 0.00666, 0.0, 0.00613, 0.0, -0.0, -0.00384, -0.00666, 0.0, -0.00306, 0.00531, 0.0, 0.00769, 0.0, -0.0, -0.00306, -0.00531, 0.0], [0.01387, -0.01796, 0.0, 0.0388, -0.01381, -0.0, 0.01441, -0.07989, -0.0, 0.01441, 0.07989, 0.0, 0.0388, 0.01381, -0.0, 0.01387, 0.01796, -0.0, 0.00862, 0.02099, 0.0, -0.00744, 0.04051, 0.0, 0.06198, 0.05243, -0.0, 0.02363, -0.01052, -0.0, -0.0027, -0.02572, -0.0, -0.07639, -0.02746, 0.0, -0.03136, 0.0267, 0.0, -0.02249, 0.00303, 0.0, -0.02249, -0.00303, 0.0, -0.03136, -0.0267, 0.0, -0.07639, 0.02746, 0.0, -0.0027, 0.02572, 0.0, 0.02363, 0.01052, -0.0, 0.06198, -0.05243, -0.0, -0.00744, -0.04051, -0.0, 0.00862, -0.02099, -0.0, -0.02093, -0.0152, 0.0, -0.02093, 0.0152, 0.0, 0.01369, -0.02371, -0.0, 0.01185, 0.0, -0.0, 0.01369, 0.02371, -0.0, -0.00592, 0.01026, 0.0, -0.02737, 0.0, 0.0, -0.00592, -0.01026, 0.0]]), "A'2":array([[0.01062, 0.00672, 0.0, 0.0212, -0.00751, 0.0, 0.04617, -0.0206, 0.0, -0.04617, -0.0206, 0.0, -0.0212, -0.00751, -0.0, -0.01062, 0.00672, 0.0, -0.01113, 0.00584, -0.0, -0.0041, 0.02212, -0.0, -0.00525, 0.05028, -0.0, 0.05742, 0.06033, -0.0, 0.08095, 0.01956, -0.0, 0.04092, -0.02968, 0.0, 0.01711, -0.01461, 0.0, -0.00051, -0.01255, -0.0, 0.00051, -0.01255, 0.0, -0.01711, -0.01461, 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-0.00517, 0.0, 0.0, 0.00686, -0.0, 0.00896, -0.00517, 0.0]]), "A''1":array([[0.0, -0.0, -0.02399, 0.0, 0.0, -0.03826, 0.0, 0.0, -0.11292, 0.0, 0.0, 0.11292, -0.0, 0.0, 0.03826, -0.0, -0.0, 0.02399, 0.0, -0.0, -0.02399, 0.0, 0.0, -0.03826, -0.0, -0.0, -0.11292, 0.0, -0.0, -0.062, 0.0, -0.0, 0.062, 0.0, -0.0, 0.11292, -0.0, -0.0, 0.03826, 0.0, -0.0, 0.02399, 0.0, -0.0, -0.02399, -0.0, 0.0, -0.03826, -0.0, 0.0, -0.11292, -0.0, -0.0, -0.062, -0.0, -0.0, 0.062, -0.0, -0.0, 0.11292, -0.0, 0.0, 0.03826, 0.0, -0.0, 0.02399, 0.0, 0.0, -0.062, 0.0, 0.0, 0.062, 0.0, -0.0, -0.0, 0.0, -0.0, 0.0, 0.0, -0.0, -0.0, 0.0, -0.0, 0.0, 0.0, -0.0, 0.0, 0.0, -0.0, -0.0], [0.0, -0.0, -0.12906, -0.0, -0.0, -0.03231, 0.0, -0.0, 0.04527, 0.0, 0.0, -0.04527, -0.0, -0.0, 0.03231, 0.0, -0.0, 0.12906, 0.0, -0.0, -0.12906, 0.0, 0.0, -0.03231, -0.0, -0.0, 0.04527, -0.0, 0.0, -0.01256, 0.0, 0.0, 0.01256, 0.0, 0.0, -0.04527, -0.0, 0.0, 0.03231, 0.0, -0.0, 0.12906, 0.0, -0.0, -0.12906, 0.0, 0.0, -0.03231, -0.0, 0.0, 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