%chk=000150625.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000150625 0 1 O -1.181700 -1.9000000E-03 1.078900 O -3.038100 2.244900 -7.2899997E-02 O -1.876100 -2.264800 0.1156000 O 2.018900 2.451700 0.1937000 O 4.479100 -1.407400 -0.2984000 N 0.9353000 0.3983000 0.1660000 N 1.015500 -0.9695000 6.9499999E-02 N -4.011200 -1.607900 -0.4359000 N 3.287400 0.5759000 -5.4499999E-02 C -2.556100 1.007300 -0.5872000 C -1.104800 1.144300 -0.9877000 C -0.3863000 0.9268000 0.3312000 C -2.510700 -4.6999999E-03 0.5437000 C -2.748600 -1.401200 6.7699999E-02 C 2.071800 1.221900 0.1074000 C 2.164400 -1.532000 -7.9899997E-02 C 3.441300 -0.7816000 -0.1572000 H -3.195000 0.7338000 -1.430900 H -0.8465000 0.3558000 -1.705300 H -0.8535000 2.112100 -1.432200 H -0.3382000 1.861400 0.9023000 H -3.211600 0.2226000 1.354500 H -2.510700 2.486900 0.7067000 H 4.123200 1.151500 -9.9200003E-02 H -4.286600 -2.515500 -0.7962000 H -4.716000 -0.8778000 -0.4547000 H 2.250900 -2.627000 -0.1594000 %chk=000150625-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000150625 0 1 O -1.180822 0.915836 1.039973 O -3.397333 2.254881 -0.640136 O -1.162649 -1.844508 0.316457 O 1.830996 1.838180 1.601789 O 4.162448 -1.904885 0.002045 N 0.917164 0.566213 -0.166907 N 1.006579 -0.460073 -1.083348 N -3.486527 -1.910520 0.354033 N 2.986208 -0.040826 0.807506 C -2.650763 1.006693 -0.836863 C -1.214923 1.231618 -1.370883 C -0.336862 1.356673 -0.106776 C -2.404984 0.288666 0.523425 C -2.270403 -1.247233 0.398014 C 1.907694 0.861087 0.818884 C 2.060232 -1.254376 -1.047528 C 3.160758 -1.144158 -0.070035 H -3.277904 0.427315 -1.530478 H -0.881675 0.361046 -1.957689 H -1.172122 2.133122 -2.001388 H -0.029541 2.381943 0.152467 H -3.211123 0.541484 1.235209 H -2.897355 2.829605 -0.003843 H 3.714067 0.124699 1.511325 H -3.482363 -2.925881 0.254847 H -4.377255 -1.430506 0.476971 H 2.104557 -2.052193 -1.791473