%chk=000105269.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000105269 0 1 N 6.8700001E-02 -5.5900000E-02 0.000000 N 0.6261000 1.162000 1.9999999E-04 N 0.8591000 -1.135400 -1.9999999E-04 N 3.272000 -1.205600 9.9999997E-05 N 5.630600 -0.8971000 -3.9999999E-04 C -1.317300 -0.1965000 1.9999999E-04 C -3.511000 0.7943000 1.9999999E-04 C -4.082500 -0.4781000 1.9999999E-04 C -2.123300 0.9355000 1.9999999E-04 C -1.878700 -1.468000 9.9999997E-05 C -3.266500 -1.609200 9.9999997E-05 C 1.940900 0.8780000 1.9999999E-04 C 2.069400 -0.5689000 9.9999997E-05 C -4.364900 2.019700 -5.0000002E-04 C -5.565500 -0.6545000 -3.9999999E-04 C 3.048100 1.741900 9.9999997E-05 C 4.272800 1.071600 -9.9999997E-05 C 4.321900 -0.3340000 -9.9999997E-05 H -1.702100 1.937600 9.9999997E-05 H -1.279800 -2.374600 0.000000 H -3.695600 -2.607700 -9.9999997E-05 H -4.995400 2.049500 -0.8950000 H -4.997900 2.048900 0.8923000 H -3.763800 2.935700 6.0000003E-04 H -6.007400 -0.2027000 -0.8945000 H -5.848300 -1.713000 -3.0000001E-04 H -6.008100 -0.2023000 0.8931000 H 2.969600 2.820800 3.0000001E-04 H 5.189500 1.657400 7.9999998E-04 H 6.378300 -0.3708000 -0.4358000 H 5.689700 -1.908000 -6.6999998E-03 %chk=000105269-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000105269 0 1 N 0.072666 -0.024548 -0.018095 N 0.658707 1.227678 -0.015828 N 0.923382 -1.120252 -0.027116 N 3.372203 -1.170129 -0.043526 N 5.696805 -0.973966 -0.059210 C -1.348028 -0.190127 -0.010295 C -3.587009 0.808513 0.007069 C -4.162278 -0.501543 0.005528 C -2.182789 0.951452 -0.000885 C -1.897714 -1.490802 -0.011887 C -3.299962 -1.625651 -0.003894 C 1.999345 0.917768 -0.027029 C 2.168693 -0.521720 -0.033037 C -4.471443 2.042142 0.017094 C -5.667486 -0.688317 0.013796 C 3.156896 1.748388 -0.032639 C 4.389062 1.100035 -0.043510 C 4.458106 -0.356094 -0.048422 H -1.721455 1.942787 0.000156 H -1.232445 -2.357160 -0.019158 H -3.736603 -2.630992 -0.005052 H -5.137364 2.070957 -0.866808 H -5.127257 2.063803 0.908725 H -3.870037 2.966203 0.017393 H -6.141357 -0.216941 -0.868945 H -5.938614 -1.757432 0.011204 H -6.130764 -0.223903 0.905795 H 3.079990 2.839419 -0.028636 H 5.320704 1.675768 -0.048722 H 6.562171 -0.443401 -0.058098 H 5.722477 -1.991336 -0.061168