@MOLECULE 2-isopropylphenol 22 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.1829 -2.2033 -0.0067 O.3 1 UNL1 -0.4798 2 C 1.7175 -0.1946 -0.0027 C.3 1 UNL1 -0.0604 3 C 0.2443 0.1016 -0.0024 C.ar 1 UNL1 -0.0902 4 C 2.3768 0.3907 -1.2588 C.3 1 UNL1 -0.4459 5 C 2.3693 0.3669 1.2682 C.3 1 UNL1 -0.4459 6 C -0.6957 -0.9412 -0.0034 C.ar 1 UNL1 0.2606 7 C -0.2472 1.4049 -0.0000 C.ar 1 UNL1 -0.1069 8 C -2.0719 -0.7149 0.0002 C.ar 1 UNL1 -0.3008 9 C -1.6209 1.6570 0.0024 C.ar 1 UNL1 -0.2146 10 C -2.5285 0.6021 0.0035 C.ar 1 UNL1 -0.0861 11 H 1.8775 -1.3063 -0.0128 H 1 UNL1 0.1583 12 H 1.8932 0.0098 -2.1669 H 1 UNL1 0.1478 13 H 3.4372 0.1210 -1.3077 H 1 UNL1 0.1448 14 H 2.3096 1.4830 -1.2815 H 1 UNL1 0.1432 15 H 3.4304 0.1001 1.3166 H 1 UNL1 0.1448 16 H 1.8840 -0.0327 2.1661 H 1 UNL1 0.1478 17 H 2.2977 1.4582 1.3130 H 1 UNL1 0.1432 18 H 0.4515 2.2408 0.0006 H 1 UNL1 0.1530 19 H -2.7725 -1.5420 -0.0001 H 1 UNL1 0.1586 20 H -1.9792 2.6833 0.0037 H 1 UNL1 0.1534 21 H -3.5988 0.8025 0.0054 H 1 UNL1 0.1487 22 H -0.8892 -2.8911 -0.0147 H 1 UNL1 0.3262 @BOND 1 12 4 1 2 13 4 1 3 14 4 1 4 4 2 1 5 22 1 1 6 11 2 1 7 1 6 1 8 6 3 ar 9 6 8 ar 10 2 3 1 11 2 5 1 12 3 7 ar 13 19 8 1 14 7 18 1 15 7 9 ar 16 8 10 ar 17 9 10 ar 18 9 20 1 19 10 21 1 20 5 17 1 21 5 15 1 22 5 16 1