%chk=000110240.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000110240 0 1 S -4.259900 -0.4606000 7.6099999E-02 O -4.692600 -0.5842000 -1.495700 O -4.352000 -1.796100 0.6479000 O -4.996000 0.6492000 0.6612000 C 1.490800 1.099700 -3.1000001E-03 C 1.937500 2.529100 -1.7200001E-02 C 2.131200 -1.227900 3.1000001E-03 C 0.1321000 0.7447000 1.5500000E-02 C 3.192300 -2.275600 -3.3000000E-03 C -0.2253000 -0.6245000 2.8000001E-02 C 2.482800 0.1185000 -8.9999996E-03 C 0.7863000 -1.598500 2.1299999E-02 C -0.8798000 1.718600 2.1800000E-02 C 2.727500 2.879900 -1.289500 C 2.757600 2.895700 1.231200 C -1.584000 -0.9794000 4.6599999E-02 C 4.091200 -2.211300 1.246100 C 4.061100 -2.226500 -1.274600 C -2.576200 1.3000000E-03 5.3100001E-02 C -2.224600 1.347900 4.0399998E-02 H 1.109100 3.234900 -1.1800000E-02 H 2.715200 -3.265100 8.2999999E-03 H 3.532400 0.3989000 -2.3200000E-02 H 0.5166000 -2.653300 3.0800000E-02 H -0.7012000 2.786200 1.1100000E-02 H 3.675400 2.335300 -1.353400 H 2.962000 3.950000 -1.312900 H 2.144000 2.645800 -2.186900 H 2.195700 2.673100 2.145100 H 2.992500 3.966000 1.235400 H 3.706900 2.351700 1.279200 H -1.858500 -2.032500 4.8400000E-02 H 3.490400 -2.266000 2.160700 H 4.795200 -3.050500 1.255700 H 4.675800 -1.285800 1.283800 H 4.644400 -1.301500 -1.337300 H 4.764800 -3.065800 -1.290900 H 3.438500 -2.292100 -2.173800 H -2.980800 2.128200 3.6600001E-02 H -4.206300 -1.266500 -2.015600 %chk=000110240-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000110240 0 1 S -4.337979 -0.588458 0.074321 O -4.599497 -0.558073 -1.768848 O -4.457877 -2.118985 0.585808 O -5.262642 0.568585 0.728265 C 1.540981 1.142773 -0.007333 C 2.009370 2.605111 -0.030911 C 2.180220 -1.270850 0.021327 C 0.141207 0.771394 0.004726 C 3.285478 -2.328025 0.028713 C -0.200173 -0.643597 0.025881 C 2.504312 0.124533 0.000866 C 0.831463 -1.634530 0.033746 C -0.932902 1.728138 0.004385 C 2.810385 2.922963 -1.323153 C 2.835494 2.957557 1.236217 C -1.577122 -1.039747 0.034933 C 4.168049 -2.220929 1.301353 C 4.154357 -2.252875 -1.255514 C -2.550173 -0.053804 0.031636 C -2.272335 1.337139 0.014860 H 1.127792 3.270462 -0.031461 H 2.794984 -3.321992 0.043911 H 3.563848 0.408685 -0.009016 H 0.547100 -2.693974 0.049777 H -0.709405 2.798001 -0.005708 H 3.738615 2.325133 -1.376321 H 3.095884 3.990932 -1.345377 H 2.214897 2.704319 -2.227661 H 2.258801 2.762004 2.158027 H 3.119517 4.026084 1.224871 H 3.765743 2.362616 1.286352 H -1.850728 -2.100285 0.058810 H 3.560275 -2.310509 2.219451 H 4.929376 -3.022491 1.309906 H 4.700118 -1.252051 1.339660 H 4.686123 -1.285466 -1.323007 H 4.915311 -3.054819 -1.252500 H 3.536826 -2.364505 -2.164647 H -3.088155 2.065337 0.027503 H -5.565435 -0.764802 -1.934649